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Information card for entry 7237704
Preview
| Coordinates | 7237704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | C-1 |
|---|---|
| Formula | C40 H28 N2 |
| Calculated formula | C40 H28 N2 |
| Title of publication | Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs |
| Authors of publication | Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 11 |
| Pages of publication | 3263 |
| a | 9.4994 ± 0.0003 Å |
| b | 9.8382 ± 0.0003 Å |
| c | 16.5464 ± 0.0005 Å |
| α | 95.704 ± 0.001° |
| β | 102.599 ± 0.001° |
| γ | 110.032 ± 0.001° |
| Cell volume | 1392.04 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1437 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71076 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. |
7237704.cif |
| 238540 | 2019-11-24 | cif/ Adding structures of 7237704, 7237705, 7237706 via cif-deposit CGI script. |
7237704.cif |
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Users of the data should acknowledge the original authors of the
structural data.