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Information card for entry 7240291
Preview
| Coordinates | 7240291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 N4 |
|---|---|
| Calculated formula | C10 H8 N4 |
| Title of publication | Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals |
| Authors of publication | Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 4.7844 ± 0.001 Å |
| b | 6.1705 ± 0.0012 Å |
| c | 15.43 ± 0.003 Å |
| α | 90° |
| β | 96.42 ± 0.03° |
| γ | 90° |
| Cell volume | 452.67 ± 0.16 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250518 (current) | 2020-04-09 | cif/ Adding structures of 7240291 via cif-deposit CGI script. |
7240291.cif |
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