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Information card for entry 8105230
Preview
| Coordinates | 8105230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 O3 |
|---|---|
| Calculated formula | C15 H10 O3 |
| SMILES | O=c1oc2c(ccc(O)c2)c(c1)c1ccccc1 |
| Title of publication | Crystal structure of 7-hydroxy-4-phenyl-2H-chromen-2-one, C15H10O3 |
| Authors of publication | Mzozoyana, Vuyisa; Zamisa, Sizwe J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 595 - 597 |
| a | 10.2949 ± 0.0009 Å |
| b | 11.1616 ± 0.0009 Å |
| c | 19.2902 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2216.6 ± 0.3 Å3 |
| Cell temperature | 100.02 K |
| Ambient diffraction temperature | 100.02 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275360 (current) | 2022-05-12 | cif/ Adding structures of 8105230 via cif-deposit CGI script. |
8105230.cif |
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Users of the data should acknowledge the original authors of the
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