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Information card for entry 8107404
Preview
| Coordinates | 8107404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 Br N2 O |
|---|---|
| Calculated formula | C22 H23 Br N2 O |
| Title of publication | Crystal structure of (E)-7-bromo-2-(4-(4-methylpiperazin-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23BrN2O |
| Authors of publication | Qi, Qin-Bing; Li, Wen-Xuan; Hou, Gui-Ge; Li, Cheng-Bo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 235 - 237 |
| a | 10.0543 ± 0.0001 Å |
| b | 11.4893 ± 0.0001 Å |
| c | 16.5853 ± 0.0001 Å |
| α | 93.152 ± 0.001° |
| β | 91.877 ± 0.001° |
| γ | 97.097 ± 0.001° |
| Cell volume | 1896.81 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284512 (current) | 2023-06-21 | cif/ Adding structures of 8107404 via cif-deposit CGI script. |
8107404.cif |
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Users of the data should acknowledge the original authors of the
structural data.