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Information card for entry 7238729
Preview
| Coordinates | 7238729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 N2 O2 |
|---|---|
| Calculated formula | C20 H16 N2 O2 |
| Title of publication | Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) |
| Authors of publication | Safin, Damir A.; Robeyns, Koen; Garcia, Yann |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 30 |
| Pages of publication | 11379 |
| a | 7.3048 ± 0.0004 Å |
| b | 6.2025 ± 0.0003 Å |
| c | 35.783 ± 0.002 Å |
| α | 90° |
| β | 95.732 ± 0.005° |
| γ | 90° |
| Cell volume | 1613.15 ± 0.15 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238729.cif |
| 244319 | 2019-11-28 | cif/ Adding structures of 7238729, 7238730, 7238731, 7238732, 7238733 via cif-deposit CGI script. |
7238729.cif |
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Users of the data should acknowledge the original authors of the
structural data.