Information card for entry 2233352
Common name |
2,8-Dimesitylboranyl-6<i>H</i>,12<i>H</i>- 5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Chemical name |
5-[bis(2,4,6-trimethylphenyl)boranyl]-13-[(2,4,5-trimethylphenyl)(2,4,6- trimethylphenyl)boranyl]-1,9-diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca- 2,4,6,10(15),11,13-hexaene |
Formula |
C51 H56 B2 N2 |
Calculated formula |
C51 H56 B2 N2 |
SMILES |
N12CN(Cc3c1ccc(B(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c3)c1c(C2)cc(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1 |
Title of publication |
2,8-Dimesitylboranyl-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Authors of publication |
Yuan, Chun-Xue |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o22 |
a |
9.3565 ± 0.0003 Å |
b |
14.0077 ± 0.0006 Å |
c |
16.365 ± 0.0006 Å |
α |
86.079 ± 0.003° |
β |
83.808 ± 0.003° |
γ |
88.377 ± 0.003° |
Cell volume |
2126.87 ± 0.14 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0769 |
Residual factor for significantly intense reflections |
0.0559 |
Weighted residual factors for significantly intense reflections |
0.1547 |
Weighted residual factors for all reflections included in the refinement |
0.1717 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233352.html