Information card for entry 2203913

Structure parameters

• Chemical name: tert-butyl N-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
• Formula: C11 H21 N O4
• Calculated formula: C11 H21 N O4
• SMILES: N([C@H]1C[C@H](O)[C@H](C1)CO)C(=O)OC(C)(C)C
• Title of publication: A carbocyclic analogue of a protected β-<small>D</small>-2-deoxyribosylamine
• Authors of publication: Ober, Matthias; Marsch, Michael; Harms, Klaus; Carell, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1191 - o1192
• a: 5.2765 ± 0.0006 Å
• b: 6.2163 ± 0.0008 Å
• c: 38.109 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes