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Information card for entry 8104813
Preview
| Coordinates | 8104813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 Br N O |
|---|---|
| Calculated formula | C23 H16 Br N O |
| Title of publication | Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO |
| Authors of publication | Pan, Fei; Wei, Xian; Lv, Menglan Lan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 305 - 306 |
| a | 9.914 ± 0.003 Å |
| b | 10.141 ± 0.003 Å |
| c | 10.179 ± 0.003 Å |
| α | 90.177 ± 0.005° |
| β | 112.202 ± 0.005° |
| γ | 95.167 ± 0.005° |
| Cell volume | 942.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273861 (current) | 2022-03-21 | cif/ Adding structures of 8104813 via cif-deposit CGI script. |
8104813.cif |
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Users of the data should acknowledge the original authors of the
structural data.