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Information card for entry 8106829
Preview
| Coordinates | 8106829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 O4 |
|---|---|
| Calculated formula | C14 H12 O4 |
| SMILES | O(c1ccc(cc1)C(=O)c1cc(O)ccc1O)C |
| Title of publication | Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4 |
| Authors of publication | Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 213 - 214 |
| a | 22.6015 ± 0.0012 Å |
| b | 7.1344 ± 0.0004 Å |
| c | 7.3789 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1189.83 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.0827 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1667 |
| Weighted residual factors for all reflections included in the refinement | 0.1864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281649 (current) | 2023-03-06 | cif/ Adding structures of 8106829 via cif-deposit CGI script. |
8106829.cif |
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Users of the data should acknowledge the original authors of the
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