Information card for entry 1506060

Structure parameters

• Formula: C15 H23 N O6
• Calculated formula: C15 H23 N O6
• SMILES: O=C(N[C@H]1[C@@H](OC(=O)C)[C@H](C=CC1)OC(=O)C)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: 8.6041 ± 0.0004 Å
• b: 8.753 ± 0.0004 Å
• c: 11.3766 ± 0.0005 Å
• α: 90°
• β: 91.616 ± 0.003°
• γ: 90°
• Cell volume: 856.45 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No