Information card for entry 7153384

Structure parameters

• Formula: C22 H23 N O10
• Calculated formula: C22 H23 N O10
• SMILES: O([C@H]1[C@H](N2C(=O)c3c(cccc3)C2=O)C[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C(=O)C.O([C@@H]1[C@@H](N2C(=O)c3c(cccc3)C2=O)C[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C)C(=O)C
• Title of publication: De novo synthesis of polyhydroxyl aminocyclohexanes.
• Authors of publication: Sar, Anobick; Lindeman, Sergey; Donaldson, William A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3908 - 3917
• a: 27.7646 ± 0.0012 Å
• b: 11.6104 ± 0.0005 Å
• c: 16.3768 ± 0.0007 Å
• α: 90°
• β: 123.535 ± 0.002°
• γ: 90°
• Cell volume: 4400.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No