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Information card for entry 8107155
Preview
| Coordinates | 8107155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N O2 |
|---|---|
| Calculated formula | C22 H19 N O2 |
| SMILES | O=C(c1ccc(N(C)C)c(C(=O)c2ccccc2)c1)c1ccccc1 |
| Title of publication | Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2 |
| Authors of publication | Wang, Kai; Chen, Qiang; Xiao, Jian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1235 - 1236 |
| a | 12.7728 ± 0.0019 Å |
| b | 7.9765 ± 0.0012 Å |
| c | 20.451 ± 0.003 Å |
| α | 90° |
| β | 123.946 ± 0.007° |
| γ | 90° |
| Cell volume | 1728.5 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283628 (current) | 2023-05-09 | cif/ Adding structures of 8107155 via cif-deposit CGI script. |
8107155.cif |
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Users of the data should acknowledge the original authors of the
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