Information card for entry 4024483

Structure parameters

• Formula: C15 H23 N O8
• Calculated formula: C15 H23 N O8
• SMILES: [C@H]1([C@@H]2C[C@H]([C@H](C[C@H]([C@@H](C1OC(=O)C)OC(=O)C)N2)O)O)OC(=O)C
• Title of publication: Stereodivergent Access to Polyhydroxylated 10-Azabicyclo[4.3.1]decanes as New Calystegine Analogues
• Authors of publication: Vincent Chagnault; Philippe Compain; Krzysztof Lewinski; Kyoko Ikeda; Naoki Asano; Olivier R. Martin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3179 - 3182
• a: 7.104 ± 0.0003 Å
• b: 10.693 ± 0.0005 Å
• c: 11.443 ± 0.0004 Å
• α: 88.492 ± 0.002°
• β: 78.42 ± 0.003°
• γ: 76.727 ± 0.002°
• Cell volume: 828.63 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No