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Information card for entry 8106472
Preview
| Coordinates | 8106472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H36 Br4 O8 |
|---|---|
| Calculated formula | C38 H36 Br4 O8 |
| Title of publication | Crystal structure of 4a-hydroxy-9-(3,5-dibromo-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C19H18Br2O4 |
| Authors of publication | Li, Jing; Zhou, Weiwei; Sui, Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 2 |
| Pages of publication | 171 - 172 |
| a | 14.323 ± 0.003 Å |
| b | 7.6704 ± 0.0017 Å |
| c | 17.112 ± 0.004 Å |
| α | 90° |
| β | 111.948 ± 0.004° |
| γ | 90° |
| Cell volume | 1743.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280367 (current) | 2023-01-17 | cif/ Adding structures of 8106472 via cif-deposit CGI script. |
8106472.cif |
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Users of the data should acknowledge the original authors of the
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