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Information card for entry 8105474
Preview
| Coordinates | 8105474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 O3 |
|---|---|
| Calculated formula | C16 H12 O3 |
| SMILES | c12cc(c(cc1oc(c2)c1ccccc1)O)C(=O)C |
| Title of publication | Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3 |
| Authors of publication | Olomola, Temitope O.; Maluleka, Marole M.; Mphahlele, Malose J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1389 - 1391 |
| a | 10.7095 ± 0.0003 Å |
| b | 8.1455 ± 0.0002 Å |
| c | 27.5374 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2402.2 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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 |
|---|---|---|---|
| 276180 (current) | 2022-06-23 | cif/ Adding structures of 8105474 via cif-deposit CGI script. |
8105474.cif |
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