Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229264
Preview
| Coordinates | 7229264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H22 O2 |
|---|---|
| Calculated formula | C28 H22 O2 |
| SMILES | O(c1c(/C=C/C(=O)c2ccccc2)c2ccccc2cc1)Cc1ccc(C=C)cc1 |
| Title of publication | Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance |
| Authors of publication | Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 73 |
| Pages of publication | 46354 |
| a | 18.544 ± 0.002 Å |
| b | 15.174 ± 0.002 Å |
| c | 28.663 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8065.4 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1442 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.2181 |
| Weighted residual factors for all reflections included in the refinement | 0.2691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229264.cif |
| 201550 | 2017-09-30 | cif/ Adding structures of 7229263, 7229264 via cif-deposit CGI script. |
7229264.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.