Sign In Join Free

Products Information

Bis(pinacolato)diboron
Bis(pinacolato)diboron ID: API-32154
CAS:73183-34-3
Supplier:APIchem

Get a quote


SMILES:O1C(C(OB1B1OC(C(O1)(C)C)(C)C)(C)C)(C)C	ChemMol.com
FORMULA: C12H24B2O4
MASS: 253.9386
EXACT MASS: 254.1860700
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.6181     0.0000 
   O   3    2.7114     2.1756     0.0000 
   O   4    2.1756     2.7114     1.6181     0.0000 
   C   5    0.9999     1.6181     3.3896     3.1418     0.0000 
   C   6    3.1418     3.3896     1.6181     0.9999     4.0776     0.0000 
   C   7    3.3896     3.1418     1.0000     1.6180     4.1984     1.0000 
   C   8    1.6180     1.0000     3.1418     3.3896     1.0000     4.1984 
   C   9    2.5876     1.4142     3.4952     4.1124     1.9754     4.8010 
   C  10    2.3494     1.9753     4.1382     4.3292     1.4142     5.1751 
   C  11    3.4952     4.1124     2.5876     1.4142     4.4886     1.0000 
   C  12    4.1382     4.3293     2.3495     1.9753     5.0776     1.0000 
   C  13    4.1124     3.4952     1.4142     2.5876     4.8010     1.9754 
   C  14    4.3292     4.1382     1.9753     2.3494     5.1751     1.4142 
   C  15    1.4142     2.5876     4.1124     3.4952     1.0000     4.4886 
   C  16    1.9753     2.3495     4.3293     4.1382     1.0000     5.0776 
   B  17    1.0000     1.0001     1.7821     1.7820     1.6180     2.5876 
   B  18    1.7820     1.7821     1.0001     1.0000     2.5876     1.6180 
   H  19    4.2299     4.1837     2.0691     2.1609     5.1153     1.1766 
   H  20    4.7566     4.9238     2.8851     2.5895     5.6976     1.6200 
   H  21    4.1383     4.5552     2.7437     1.9756     5.1153     1.1766 
   H  22    4.0504     4.5257     2.7749     1.9037     5.0339     1.1766 
   H  23    3.8306     4.6128     3.1982     1.9037     4.8305     1.6200 
   H  24    2.9656     3.7564     2.5417     1.0697     3.9652     1.1766 
   H  25    2.0691     2.1609     4.2299     4.1837     1.0698     5.0918 
   H  26    2.8851     2.5895     4.7567     4.9238     1.9038     5.7847 
   H  27    2.7436     1.9756     4.1383     4.5552     1.9038     5.3298 
   H  28    2.7749     1.9037     4.0504     4.5257     1.9757     5.2782 
   H  29    3.1982     1.9037     3.8306     4.6128     2.5896     5.2360 
   H  30    2.5417     1.0697     2.9656     3.7564     2.1610     4.3599 
   H  31    3.7564     2.9656     1.0697     2.5417     4.3599     2.1610 
   H  32    4.6128     3.8306     1.9037     3.1982     5.2360     2.5896 
   H  33    4.5257     4.0504     1.9037     2.7749     5.2782     1.9757 
   H  34    4.5552     4.1383     1.9756     2.7436     5.3298     1.9038 
   H  35    4.9238     4.7567     2.5895     2.8851     5.7847     1.9038 
   H  36    4.1837     4.2299     2.1609     2.0691     5.0918     1.0698 
   H  37    1.0697     2.5417     3.7564     2.9656     1.1766     3.9652 
   H  38    1.9037     3.1982     4.6128     3.8306     1.6200     4.8305 
   H  39    1.9037     2.7749     4.5257     4.0504     1.1766     5.0339 
   H  40    1.9756     2.7437     4.5552     4.1383     1.1766     5.1153 
   H  41    2.5895     2.8851     4.9238     4.7566     1.6200     5.6976 
   H  42    2.1609     2.0691     4.1837     4.2299     1.1766     5.1153 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.0776     0.0000 
   C   9    4.4886     1.0001     0.0000 
   C  10    5.0776     1.0000     1.1756     0.0000 
   C  11    1.9753     4.8010     5.5202     5.7291     0.0000 
   C  12    1.4142     5.1751     5.7292     6.1593     1.1755     0.0000 
   C  13    1.0001     4.4886     4.6958     5.4700     2.9021     2.0698 
   C  14    1.0000     5.0776     5.4700     6.0776     2.0697     1.0000 
   C  15    4.8010     1.9753     2.9021     2.0697     4.6958     5.4700 
   C  16    5.1751     1.4142     2.0698     1.0000     5.4700     6.0776 
   B  17    2.5876     1.6180     2.3496     2.5876     3.1962     3.5739 
   B  18    1.6180     2.5876     3.1963     3.5739     2.3495     2.5876 
   H  19    1.0698     5.0918     5.5487     6.0895     1.7162     0.6200 
   H  20    1.9038     5.7847     6.3156     6.7718     1.6195     0.6200 
   H  21    1.9038     5.3298     5.9688     6.2898     0.7661     0.6200 
   H  22    1.9756     5.2782     5.9399     6.2299     0.6200     0.7661 
   H  23    2.5895     5.2359     6.0065     6.1296     0.6200     1.6196 
   H  24    2.1609     4.3598     5.1411     5.2538     0.6200     1.7162 
   H  25    5.1153     1.1766     1.7163     0.6200     5.5487     6.0895 
   H  26    5.6976     1.6200     1.6196     0.6200     6.3156     6.7718 
   H  27    5.1153     1.1766     0.7661     0.6200     5.9688     6.2898 
   H  28    5.0339     1.1766     0.6200     0.7662     5.9399     6.2299 
   H  29    4.8305     1.6201     0.6200     1.6197     6.0065     6.1296 
   H  30    3.9652     1.1766     0.6200     1.7163     5.1411     5.2538 
   H  31    1.1766     3.9652     4.1106     4.9312     3.1494     2.4962 
   H  32    1.6201     4.8305     4.9227     5.7871     3.4970     2.5894 
   H  33    1.1766     5.0339     5.2889     6.0244     2.7739     1.7624 
   H  34    1.1766     5.1153     5.3969     6.1091     2.6622     1.6200 
   H  35    1.6200     5.6976     6.0815     6.6976     2.3505     1.1766 
   H  36    1.1766     5.1153     5.6111     6.1091     1.4996     0.3800 
   H  37    4.3598     2.1609     3.1494     2.4961     4.1106     4.9312 
   H  38    5.2359     2.5895     3.4970     2.5893     4.9227     5.7871 
   H  39    5.2782     1.9756     2.7739     1.7623     5.2889     6.0244 
   H  40    5.3298     1.9038     2.6623     1.6200     5.3969     6.1091 
   H  41    5.7847     1.9038     2.3506     1.1766     6.0815     6.6976 
   H  42    5.0918     1.0698     1.4997     0.3800     5.6111     6.1091 

              C  13      C  14      C  15      C  16      B  17      B  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.1756     0.0000 
   C  15    5.5202     5.7291     0.0000 
   C  16    5.7292     6.1593     1.1755     0.0000 
   B  17    3.1963     3.5739     2.3495     2.5876     0.0000 
   B  18    2.3496     2.5876     3.1962     3.5739     1.0000     0.0000 
   H  19    1.4997     0.3800     5.6111     6.1091     3.5408     2.5416 
   H  20    2.3506     1.1766     6.0815     6.6976     4.1887     3.1981 
   H  21    2.6623     1.6200     5.3969     6.1091     3.7118     2.7749 
   H  22    2.7739     1.7623     5.2889     6.0244     3.6609     2.7436 
   H  23    3.4970     2.5893     4.9227     5.7871     3.6609     2.8851 
   H  24    3.1494     2.4961     4.1106     4.9312     2.7924     2.0691 
   H  25    5.6111     6.1091     1.4996     0.3800     2.5416     3.5408 
   H  26    6.0815     6.6976     2.3505     1.1766     3.1981     4.1887 
   H  27    5.3969     6.1091     2.6622     1.6200     2.7749     3.7118 
   H  28    5.2889     6.0244     2.7739     1.7624     2.7437     3.6610 
   H  29    4.9227     5.7871     3.4970     2.5894     2.8851     3.6610 
   H  30    4.1106     4.9312     3.1494     2.4962     2.0692     2.7925 
   H  31    0.6200     1.7163     5.1411     5.2538     2.7925     2.0692 
   H  32    0.6200     1.6197     6.0065     6.1296     3.6610     2.8851 
   H  33    0.6200     0.7662     5.9399     6.2299     3.6610     2.7437 
   H  34    0.7661     0.6200     5.9688     6.2898     3.7118     2.7749 
   H  35    1.6196     0.6200     6.3156     6.7718     4.1887     3.1981 
   H  36    1.7163     0.6200     5.5487     6.0895     3.5408     2.5416 
   H  37    5.1411     5.2538     0.6200     1.7162     2.0691     2.7924 
   H  38    6.0065     6.1296     0.6200     1.6196     2.8851     3.6609 
   H  39    5.9399     6.2299     0.6200     0.7661     2.7436     3.6609 
   H  40    5.9688     6.2898     0.7661     0.6200     2.7749     3.7118 
   H  41    6.3156     6.7718     1.6195     0.6200     3.1981     4.1887 
   H  42    5.5487     6.0895     1.7162     0.6200     2.5416     3.5408 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    1.3831     1.0474     0.1723     0.0000 
   H  23    2.2177     1.9044     1.0474     0.8769     0.0000 
   H  24    2.1787     2.2176     1.3831     1.2400     0.8768     0.0000 
   H  25    6.0823     6.7084     6.1593     6.0839     5.8996     5.0328 
   H  26    6.7084     7.3856     6.8907     6.8269     6.6987     5.8253 
   H  27    6.1593     6.8907     6.4773     6.4326     6.4114     5.5356 
   H  28    6.0840     6.8269     6.4326     6.3922     6.3944     5.5201 
   H  29    5.8996     6.6988     6.4115     6.3944     6.5156     5.6601 
   H  30    5.0329     5.8254     5.5357     5.5201     5.6601     4.8123 
   H  31    1.9896     2.8642     3.0451     3.1326     3.7653     3.2853 
   H  32    1.9847     2.7765     3.2000     3.3241     4.0815     3.7653 
   H  33    1.1440     1.9016     2.3817     2.5189     3.3241     3.1326 
   H  34    1.0000     1.7346     2.2400     2.3816     3.1999     3.0450 
   H  35    0.7272     1.0000     1.7346     1.9015     2.7764     2.8641 
   H  36    0.2400     0.7272     1.0000     1.1439     1.9846     1.9895 
   H  37    5.1106     5.5362     4.8254     4.7113     4.3160     3.5164 
   H  38    5.9821     6.3868     5.6537     5.5323     5.0788     4.3160 
   H  39    6.1334     6.6399     5.9779     5.8750     5.5323     4.7113 
   H  40    6.2028     6.7262     6.0776     5.9779     5.6537     4.8254 
   H  41    6.7262     7.3176     6.7262     6.6399     6.3868     5.5362 
   H  42    6.0776     6.7262     6.2028     6.1334     5.9821     5.1106 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.2400     0.8768     0.0000 
   H  28    1.3832     1.0474     0.1724     0.0000 
   H  29    2.2178     1.9045     1.0475     0.8769     0.0000 
   H  30    2.1788     2.2177     1.3832     1.2400     0.8768     0.0000 
   H  31    5.1106     5.5362     4.8254     4.7113     4.3160     3.5164 
   H  32    5.9821     6.3868     5.6537     5.5323     5.0788     4.3160 
   H  33    6.1334     6.6399     5.9779     5.8750     5.5323     4.7113 
   H  34    6.2028     6.7262     6.0776     5.9779     5.6537     4.8254 
   H  35    6.7262     7.3176     6.7262     6.6399     6.3868     5.5362 
   H  36    6.0776     6.7262     6.2028     6.1334     5.9821     5.1106 
   H  37    1.9895     2.8641     3.0450     3.1326     3.7653     3.2853 
   H  38    1.9846     2.7764     3.1999     3.3241     4.0815     3.7653 
   H  39    1.1439     1.9015     2.3816     2.5189     3.3241     3.1326 
   H  40    1.0000     1.7346     2.2400     2.3817     3.2000     3.0451 
   H  41    0.7272     1.0000     1.7346     1.9016     2.7765     2.8642 
   H  42    0.2400     0.7272     1.0000     1.1440     1.9847     1.9896 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2400     0.8769     0.0000 
   H  34    1.3832     1.0475     0.1724     0.0000 
   H  35    2.2177     1.9045     1.0474     0.8768     0.0000 
   H  36    2.1788     2.2178     1.3832     1.2400     0.8768     0.0000 
   H  37    4.8123     5.6601     5.5201     5.5356     5.8253     5.0328 
   H  38    5.6601     6.5156     6.3944     6.4114     6.6987     5.8996 
   H  39    5.5201     6.3944     6.3922     6.4326     6.8269     6.0839 
   H  40    5.5357     6.4115     6.4326     6.4773     6.8907     6.1593 
   H  41    5.8254     6.6988     6.8269     6.8907     7.3856     6.7084 
   H  42    5.0329     5.8996     6.0840     6.1593     6.7084     6.0823 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    1.2400     0.8769     0.0000 
   H  40    1.3831     1.0474     0.1723     0.0000 
   H  41    2.2176     1.9044     1.0474     0.8768     0.0000 
   H  42    2.1787     2.2177     1.3831     1.2400     0.8768     0.0000 




ATOMIC CHARGES
   O   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   B  17    0.0000000000
   B  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000
   H  37    0.0000000000
   H  38    0.0000000000
   H  39    0.0000000000
   H  40    0.0000000000
   H  41    0.0000000000
   H  42    0.0000000000


BOND ANGLES
   5    1   17   C3   O3   B2    108.001
   8    2   17   C3   O3   B2    107.992
   7    3   18   C3   O3   B2    107.992
   6    4   18   C3   O3   B2    108.001
   1    5    8   O3   C3   C3    108.000
   1    5   15   O3   C3   C3     90.005
   1    5   16   O3   C3   C3    162.000
   8    5   15   C3   C3   C3    161.994
   8    5   16   C3   C3   C3     90.000
  15    5   16   C3   C3   C3     71.994
   4    6    7   O3   C3   C3    108.000
   4    6   11   O3   C3   C3     90.005
   4    6   12   O3   C3   C3    162.000
   7    6   11   C3   C3   C3    161.994
   7    6   12   C3   C3   C3     90.000
  11    6   12   C3   C3   C3     71.994
   3    7    6   O3   C3   C3    108.006
   3    7   13   O3   C3   C3     89.998
   3    7   14   O3   C3   C3    161.994
   6    7   13   C3   C3   C3    161.996
   6    7   14   C3   C3   C3     90.000
  13    7   14   C3   C3   C3     71.996
   2    8    5   O3   C3   C3    108.006
   2    8    9   O3   C3   C3     89.998
   2    8   10   O3   C3   C3    161.994
   5    8    9   C3   C3   C3    161.996
   5    8   10   C3   C3   C3     90.000
   9    8   10   C3   C3   C3     71.996
   8    9   28   C3   C3   HC     90.001
   8    9   29   C3   C3   HC    179.974
   8    9   30   C3   C3   HC     89.996
  28    9   29   HC   C3   HC     90.012
  28    9   30   HC   C3   HC    179.974
  29    9   30   HC   C3   HC     89.991
   8   10   25   C3   C3   HC     90.000
   8   10   26   C3   C3   HC    179.974
   8   10   27   C3   C3   HC     90.000
  25   10   26   HC   C3   HC     90.000
  25   10   27   HC   C3   HC    179.974
  26   10   27   HC   C3   HC     90.000
   6   11   22   C3   C3   HC     90.003
   6   11   23   C3   C3   HC    179.974
   6   11   24   C3   C3   HC     89.994
  22   11   23   HC   C3   HC     90.012
  22   11   24   HC   C3   HC    179.974
  23   11   24   HC   C3   HC     89.991
   6   12   19   C3   C3   HC     90.000
   6   12   20   C3   C3   HC    179.974
   6   12   21   C3   C3   HC     90.000
  19   12   20   HC   C3   HC     90.000
  19   12   21   HC   C3   HC    179.974
  20   12   21   HC   C3   HC     90.000
   7   13   31   C3   C3   HC     89.996
   7   13   32   C3   C3   HC    179.974
   7   13   33   C3   C3   HC     90.001
  31   13   32   HC   C3   HC     89.991
  31   13   33   HC   C3   HC    179.974
  32   13   33   HC   C3   HC     90.012
   7   14   34   C3   C3   HC     90.000
   7   14   35   C3   C3   HC    179.974
   7   14   36   C3   C3   HC     90.000
  34   14   35   HC   C3   HC     90.000
  34   14   36   HC   C3   HC    179.974
  35   14   36   HC   C3   HC     90.000
   5   15   37   C3   C3   HC     89.994
   5   15   38   C3   C3   HC    179.974
   5   15   39   C3   C3   HC     90.003
  37   15   38   HC   C3   HC     89.991
  37   15   39   HC   C3   HC    179.974
  38   15   39   HC   C3   HC     90.012
   5   16   40   C3   C3   HC     90.000
   5   16   41   C3   C3   HC    179.974
   5   16   42   C3   C3   HC     90.000
  40   16   41   HC   C3   HC     90.000
  40   16   42   HC   C3   HC    179.974
  41   16   42   HC   C3   HC     90.000
   1   17    2   O3   B2   O3    108.001
   1   17   18   O3   B2   B2    126.001
   2   17   18   O3   B2   B2    125.998
   3   18    4   O3   B2   O3    108.001
   3   18   17   O3   B2   B2    125.998
   4   18   17   O3   B2   B2    126.001


TORSION ANGLES
  17    1    5    8      0.026
  17    1    5   15    179.974
  17    1    5   16    179.974
   5    1   17    2      0.026
   5    1   17   18    179.974
  17    2    8    5      0.026
  17    2    8    9    179.974
  17    2    8   10    179.974
   8    2   17    1      0.026
   8    2   17   18    179.974
  18    3    7    6      0.026
  18    3    7   13    179.974
  18    3    7   14    179.974
   7    3   18    4      0.026
   7    3   18   17    179.974
  18    4    6    7      0.026
  18    4    6   11    179.974
  18    4    6   12    179.974
   6    4   18    3      0.026
   6    4   18   17    179.974
   1    5    8    2      0.026
   1    5    8    9    179.974
   1    5    8   10    179.974
  15    5    8    2    179.974
  15    5    8    9      0.026
  15    5    8   10      0.026
  16    5    8    2    179.974
  16    5    8    9      0.026
  16    5    8   10      0.026
   1    5   15   37      0.026
   1    5   15   38      0.026
   1    5   15   39    179.974
   8    5   15   37    179.974
   8    5   15   38    179.974
   8    5   15   39      0.026
  16    5   15   37    179.974
  16    5   15   38    179.974
  16    5   15   39      0.026
   1    5   16   40      0.026
   1    5   16   41    180.000
   1    5   16   42    179.974
   8    5   16   40    179.974
   8    5   16   41    180.000
   8    5   16   42      0.026
  15    5   16   40      0.026
  15    5   16   41    180.000
  15    5   16   42    179.974
   4    6    7    3      0.026
   4    6    7   13    179.974
   4    6    7   14    179.974
  11    6    7    3    179.974
  11    6    7   13      0.026
  11    6    7   14      0.026
  12    6    7    3    179.974
  12    6    7   13      0.026
  12    6    7   14      0.026
   4    6   11   22    179.974
   4    6   11   23      0.026
   4    6   11   24      0.026
   7    6   11   22      0.026
   7    6   11   23    179.974
   7    6   11   24    179.974
  12    6   11   22      0.026
  12    6   11   23    179.974
  12    6   11   24    179.974
   4    6   12   19    179.974
   4    6   12   20    180.000
   4    6   12   21      0.026
   7    6   12   19      0.026
   7    6   12   20    180.000
   7    6   12   21    179.974
  11    6   12   19    179.974
  11    6   12   20    180.000
  11    6   12   21      0.026
   3    7   13   31      0.026
   3    7   13   32      0.026
   3    7   13   33    179.974
   6    7   13   31    179.974
   6    7   13   32    179.974
   6    7   13   33      0.026
  14    7   13   31    179.974
  14    7   13   32    179.974
  14    7   13   33      0.026
   3    7   14   34      0.026
   3    7   14   35    180.000
   3    7   14   36    179.974
   6    7   14   34    179.974
   6    7   14   35    180.000
   6    7   14   36      0.026
  13    7   14   34      0.026
  13    7   14   35    180.000
  13    7   14   36    179.974
   2    8    9   28    179.974
   2    8    9   29      0.026
   2    8    9   30      0.026
   5    8    9   28      0.026
   5    8    9   29    179.974
   5    8    9   30    179.974
  10    8    9   28      0.026
  10    8    9   29    179.974
  10    8    9   30    179.974
   2    8   10   25    179.974
   2    8   10   26    180.000
   2    8   10   27      0.026
   5    8   10   25      0.026
   5    8   10   26    180.000
   5    8   10   27    179.974
   9    8   10   25    179.974
   9    8   10   26    180.000
   9    8   10   27      0.026
   1   17   18    3    179.974
   1   17   18    4      0.026
   2   17   18    3      0.026
   2   17   18    4    179.974