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Information card for entry 7237781
Preview
| Coordinates | 7237781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H12 Cl N O |
|---|---|
| Calculated formula | C19 H12 Cl N O |
| Title of publication | The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions |
| Authors of publication | Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 18 |
| Pages of publication | 5433 |
| a | 23.323 ± 0.002 Å |
| b | 3.8319 ± 0.0003 Å |
| c | 31.479 ± 0.003 Å |
| α | 90° |
| β | 90.288 ± 0.004° |
| γ | 90° |
| Cell volume | 2813.3 ± 0.4 Å3 |
| Cell temperature | 149 ± 2 K |
| Ambient diffraction temperature | 149.25 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
| 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. |
7237781.cif |
| 238604 | 2019-11-24 | cif/ Adding structures of 7237781, 7237782, 7237783, 7237784 via cif-deposit CGI script. |
7237781.cif |
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Users of the data should acknowledge the original authors of the
structural data.