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Information card for entry 7229263
Preview
| Coordinates | 7229263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H18 O2 |
|---|---|
| Calculated formula | C22 H18 O2 |
| SMILES | O=C(c1ccccc1)/C=C/c1c2ccccc2ccc1OCC=C |
| 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 | 4.247 ± 0.003 Å |
| b | 16.287 ± 0.012 Å |
| c | 24.172 ± 0.015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1672 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.084 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| 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. |
7229263.cif |
| 201550 | 2017-09-30 | cif/ Adding structures of 7229263, 7229264 via cif-deposit CGI script. |
7229263.cif |
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Users of the data should acknowledge the original authors of the
structural data.