Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234135
Preview
| Coordinates | 7234135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H21 N O |
|---|---|
| Calculated formula | C28 H21 N O |
| SMILES | O(c1ccc(cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)C#N)cc1)C |
| Title of publication | Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli |
| Authors of publication | Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 3049 - 3054 |
| a | 11.0759 ± 0.0007 Å |
| b | 29.6119 ± 0.0013 Å |
| c | 7.7409 ± 0.0004 Å |
| α | 90° |
| β | 122.9 ± 0.005° |
| γ | 90° |
| Cell volume | 2131.7 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
7234135.cif |
| 218819 | 2019-09-25 | cif/ Adding structures of 7234135, 7234136, 7234137 via cif-deposit CGI script. |
7234135.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.