Information card for entry 1506061

Structure parameters

• Formula: C20 H31 N O9
• Calculated formula: C20 H31 N O9
• SMILES: [C@H]12N(C(O[C@@H]1[C@@H](OC(=O)C)[C@@H]([C@@H](C2)OC(=O)C)OC(=O)C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Stereodivergent syntheses of conduramines and aminocyclitols.
• Authors of publication: Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3069 - 3072
• a: 9.76 ± 0.0006 Å
• b: 5.6869 ± 0.0004 Å
• c: 20.27 ± 0.0013 Å
• α: 90°
• β: 100.459 ± 0.003°
• γ: 90°
• Cell volume: 1106.38 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No