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Information card for entry 8107207
Preview
| Coordinates | 8107207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (N-acetyl-5-bromo-4-chloro-3-indoxyl)-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside |
|---|---|
| Formula | C24 H26 Br Cl N O11.5 |
| Calculated formula | C24 H26 Br Cl N O11.5 |
| Title of publication | Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11 |
| Authors of publication | Liu, Yucong; Wang, Pingqiao; Ding, Haixin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 755 - 757 |
| a | 28.914 ± 0.005 Å |
| b | 7.9349 ± 0.0014 Å |
| c | 13.062 ± 0.002 Å |
| α | 90° |
| β | 114.867 ± 0.003° |
| γ | 90° |
| Cell volume | 2719 ± 0.8 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283772 (current) | 2023-05-15 | cif/ Adding structures of 8107207 via cif-deposit CGI script. |
8107207.cif |
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Users of the data should acknowledge the original authors of the
structural data.