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Information card for entry 8106267
Preview
| Coordinates | 8106267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-<i>N</i>-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide |
|---|---|
| Formula | C21 H17 N3 O3 |
| Calculated formula | C21 H17 N3 O3 |
| SMILES | O=C(Nc1ccc(N(=O)=O)cc1)/C=C(\Nc1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of (Z)-N-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide, C21H17N3O3 |
| Authors of publication | Xiao, Xin-Sheng; Jia, Guo-Kai; Li, Wen-Yi; Chen, Xiu-Wen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 699 - 700 |
| a | 14.3606 ± 0.0004 Å |
| b | 7.425 ± 0.0002 Å |
| c | 34.284 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3655.62 ± 0.17 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279588 (current) | 2022-11-28 | cif/ Adding structures of 8106267 via cif-deposit CGI script. |
8106267.cif |
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Users of the data should acknowledge the original authors of the
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