Information card for entry 2002010

Structure parameters

• Formula: C8 H15 N O3
• Calculated formula: C8 H15 N O3
• SMILES: O[C@@H]1CN2CCC[C@H]2[C@@H]([C@H]1O)O
• Title of publication: Structure of 1-deoxycastanospermine
• Authors of publication: Koh, L. L.; Lee, C.-K.; Sim, K. Y.; Zhu, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 391 - 392
• a: 6.841 ± 0.008 Å
• b: 7.219 ± 0.006 Å
• c: 18.51 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 914.1 ± 1.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No