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Information card for entry 7237783
Preview
| Coordinates | 7237783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 Cl N O2 |
|---|---|
| Calculated formula | C20 H14 Cl N O2 |
| 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 | 3.972 ± 0.0003 Å |
| b | 12.2566 ± 0.0007 Å |
| c | 16.4309 ± 0.0011 Å |
| α | 79.392 ± 0.004° |
| β | 86.478 ± 0.004° |
| γ | 84.244 ± 0.004° |
| Cell volume | 781.52 ± 0.09 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0804 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
7237783.cif |
| 238604 | 2019-11-24 | cif/ Adding structures of 7237781, 7237782, 7237783, 7237784 via cif-deposit CGI script. |
7237783.cif |
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Users of the data should acknowledge the original authors of the
structural data.