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Information card for entry 7238531
Preview
| Coordinates | 7238531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H18 |
|---|---|
| Calculated formula | C26 H18 |
| Title of publication | Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene |
| Authors of publication | Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 23 |
| Pages of publication | 8286 |
| a | 5.5771 ± 0.0003 Å |
| b | 12.0652 ± 0.0006 Å |
| c | 25.9356 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1745.18 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 2 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.7107 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. |
7238531.cif |
| 244203 | 2019-11-28 | cif/ Adding structures of 7238530, 7238531, 7238532 via cif-deposit CGI script. |
7238531.cif |
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Users of the data should acknowledge the original authors of the
structural data.