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Information card for entry 2023192
Preview
Coordinates | 2023192.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N-</i>phenylcarbamimidothioate |
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Formula | C22 H25 N3 O9 S |
Calculated formula | C22 H25 N3 O9 S |
Title of publication | Crystal structures of four thioglycosides involving carbamimidothioate groups |
Authors of publication | Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G. |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 10.10503 ± 0.00014 Å |
b | 14.5978 ± 0.0002 Å |
c | 16.4256 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2422.96 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.9 ± 0.8 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
293350 (current) | 2024-07-10 | cif/ Adding structures of 2023191, 2023192, 2023193, 2023194, 2023195 via cif-deposit CGI script. |
2023192.cif |
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Users of the data should acknowledge the original authors of the
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