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Information card for entry 7235731
Preview
| Coordinates | 7235731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 O2 |
|---|---|
| Calculated formula | C22 H16 O2 |
| Title of publication | Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application |
| Authors of publication | Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 18609 |
| a | 6.3011 ± 0.0013 Å |
| b | 15.399 ± 0.003 Å |
| c | 16.736 ± 0.003 Å |
| α | 104.22 ± 0.03° |
| β | 94.76 ± 0.03° |
| γ | 96.35 ± 0.03° |
| Cell volume | 1554.2 ± 0.6 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.1171 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| 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. |
7235731.cif |
| 233266 | 2019-11-23 | cif/ Adding structures of 7235728, 7235729, 7235730, 7235731 via cif-deposit CGI script. |
7235731.cif |
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Users of the data should acknowledge the original authors of the
structural data.