Information card for entry 2008859
No preview available: file is not found.
| Chemical name |
1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine |
| Formula |
C24 H24 N2 O |
| Calculated formula |
C24 H24 N2 O |
| SMILES |
O=C(N1[C@H](C[C@](Nc2ccccc12)(c1ccccc1)C)c1ccccc1)C.O=C(N1[C@@H](C[C@@](Nc2ccccc12)(c1ccccc1)C)c1ccccc1)C |
| Title of publication |
1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5<i>H</i>-1,5-benzodiazepine |
| Authors of publication |
Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1999 |
| Journal volume |
55 |
| Journal issue |
8 |
| Pages of publication |
1355 - 1357 |
| a |
20.999 ± 0.001 Å |
| b |
14.397 ± 0.0005 Å |
| c |
12.648 ± 0.004 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3823.8 ± 1.2 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
33 |
| Hermann-Mauguin space group symbol |
P n a 21 |
| Hall space group symbol |
P 2c -2n |
| Residual factor for all reflections |
0.0565 |
| Residual factor for significantly intense reflections |
0.0504 |
| Weighted residual factors for all reflections included in the refinement |
0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.222 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
Version history
Version history is temporarily not available due to server issues.
