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Information card for entry 8107399
Preview
| Coordinates | 8107399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N2 O12 S |
|---|---|
| Calculated formula | C22 H24 N2 O12 S |
| Title of publication | Synthesis and crystal structure of 5-(8-(((5-carboxypentyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-3-nitrobenzenesulfonate monohydrate, C22H24N2O12S |
| Authors of publication | Chen, Hai-Lin; Wang, Yan-Ping; Pan, Li-Wei; Wei, Zheng; Tang, Ling-Chan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 217 - 219 |
| a | 38.808 ± 0.0003 Å |
| b | 33.3993 ± 0.0003 Å |
| c | 7.1666 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9289.06 ± 0.17 Å3 |
| Cell temperature | 99.98 ± 0.11 K |
| Ambient diffraction temperature | 99.98 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284506 (current) | 2023-06-20 | cif/ Adding structures of 8107399 via cif-deposit CGI script. |
8107399.cif |
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Users of the data should acknowledge the original authors of the
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