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Information card for entry 8106271
Preview
| Coordinates | 8106271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O8 S |
|---|---|
| Calculated formula | C21 H19 N O8 S |
| Title of publication | The crystal structure of benzenaminium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate hydrate, C21H19NO8S |
| Authors of publication | Li, Wu-Wu; Zheng, Min-Yan; Zhang, Zun-Ting |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 715 - 717 |
| a | 7.2884 ± 0.0009 Å |
| b | 11.9469 ± 0.0015 Å |
| c | 12.2002 ± 0.0016 Å |
| α | 95.862 ± 0.002° |
| β | 106.659 ± 0.002° |
| γ | 93.189 ± 0.002° |
| Cell volume | 1008.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1167 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279592 (current) | 2022-11-28 | cif/ Adding structures of 8106271 via cif-deposit CGI script. |
8106271.cif |
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Users of the data should acknowledge the original authors of the
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