Information card for entry 7204853
| Common name |
1,3,5-tris(4-cholorobenzoyl)benzene |
| Chemical name |
1,3,5-tris(4-cholorobenzoyl)benzene |
| Formula |
C27 H15 Cl3 O3 |
| Calculated formula |
C27 H15 Cl3 O3 |
| SMILES |
Clc1ccc(C(=O)c2cc(cc(c2)C(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 |
| Title of publication |
Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene |
| Authors of publication |
Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2004 |
| Journal volume |
6 |
| Journal issue |
21 |
| Pages of publication |
102 |
| a |
8.6385 ± 0.0002 Å |
| b |
11.1276 ± 0.0003 Å |
| c |
12.4701 ± 0.0003 Å |
| α |
95.955 ± 0.002° |
| β |
97.735 ± 0.002° |
| γ |
106.98 ± 0.002° |
| Cell volume |
1122.99 ± 0.05 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 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 |
0.0778 |
| Residual factor for significantly intense reflections |
0.0466 |
| Weighted residual factors for significantly intense reflections |
0.1307 |
| Weighted residual factors for all reflections included in the refinement |
0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7204853.html
