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Information card for entry 7151185
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Coordinates | 7151185.cif |
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Original paper (by DOI) | HTML |
Common name | (2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4- hydroxypyrrolidine |
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Chemical name | (2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4-hydroxypyrrolidine |
Formula | C12 H16 N4 O4 S |
Calculated formula | C12 H16 N4 O4 S |
SMILES | S(=O)(=O)(N1[C@@H]([C@@H](N=N#N)[C@H](O)C1)CO)c1ccc(cc1)C |
Title of publication | Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. |
Authors of publication | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2007 |
Journal volume | 5 |
Journal issue | 21 |
Pages of publication | 3544 - 3553 |
a | 7.539 ± 0.004 Å |
b | 17.643 ± 0.009 Å |
c | 11.223 ± 0.005 Å |
α | 90° |
β | 100.446 ± 0.008° |
γ | 90° |
Cell volume | 1468 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1458 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.1331 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7151185.html
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structural data.