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Information card for entry 2021989
Preview
Coordinates | 2021989.cif |
---|---|
Structure factors | 2021989.hkl |
Original IUCr paper | HTML |
Formula | C15 H29 N O12 |
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Calculated formula | C15 H29 N O12 |
SMILES | O([C@@H]1O[C@@H]([C@H]([C@H](O)[C@@H]1O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)CO)C.O |
Title of publication | Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds |
Authors of publication | Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 3 |
a | 11.417 ± 0.0006 Å |
b | 12.6782 ± 0.0006 Å |
c | 13.2102 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1912.14 ± 0.17 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0453 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
248364 (current) | 2020-02-21 | cif/ hkl/ Adding structures of 2021989 via cif-deposit CGI script. |
2021989.cif 2021989.hkl |
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Users of the data should acknowledge the original authors of the
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