Information card for entry 2001415
Chemical name |
1,3,5-Triacetyltriphenylbenzene |
Formula |
C30 H24 O3 |
Calculated formula |
C30 H24 O3 |
SMILES |
CC(=O)c1c(c2ccccc2)c(C(=O)C)c(c(c1c1ccccc1)C(=O)C)c1ccccc1 |
Title of publication |
1,3,5-Triacetyl-2,4,6-triphenylbenzene: a sterically hindered molecule |
Authors of publication |
Booth, B. L.; Pritchard, R. G.; Taylor-Gomes, J. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1993 |
Journal volume |
49 |
Journal issue |
9 |
Pages of publication |
1696 - 1698 |
a |
10.368 ± 0.002 Å |
b |
15.595 ± 0.003 Å |
c |
7.47 ± 0.002 Å |
α |
101.65 ± 0.01° |
β |
97.74 ± 0.02° |
γ |
78.94 ± 0.02° |
Cell volume |
1155.2 ± 0.5 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for significantly intense reflections |
0.0473 |
Weighted residual factors for significantly intense reflections |
0.0495 |
Goodness-of-fit parameter for significantly intense reflections |
1.688 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2001415.html