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Information card for entry 7234175
Preview
| Coordinates | 7234175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H29 Cl3 N4 S |
|---|---|
| Calculated formula | C33 H29 Cl3 N4 S |
| Title of publication | Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles |
| Authors of publication | Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 52 |
| Pages of publication | 30381 |
| a | 13.5139 ± 0.0003 Å |
| b | 15.485 ± 0.0004 Å |
| c | 15.7111 ± 0.0003 Å |
| α | 90° |
| β | 110.006 ± 0.001° |
| γ | 90° |
| Cell volume | 3089.35 ± 0.12 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 169.97 K |
| Number of distinct elements | 5 |
| 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 | 0.0527 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7234175.cif |
| 218864 | 2019-09-26 | cif/ Adding structures of 7234173, 7234174, 7234175, 7234176, 7234177, 7234178, 7234179 via cif-deposit CGI script. |
7234175.cif |
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Users of the data should acknowledge the original authors of the
structural data.