Information card for entry 7106163

Structure parameters

• Formula: C25 H31 Cl2 N O6 S2
• Calculated formula: C25 H31 Cl2 N O6 S2
• Title of publication: Guanidine-Catalyzed Enantioselective Desymmetrization of meso-Aziridines
• Authors of publication: Yan Zhang; Choon Wee Kee; Richmond Lee; Xiao Fu; Julian Ying-Teck Soh; Esther Mun Foong Loh; Kuo-Wei Huang; Choon-Hong Tan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3897
• a: 9.3366 ± 0.001 Å
• b: 10.2792 ± 0.0011 Å
• c: 16.294 ± 0.0017 Å
• α: 105.126 ± 0.002°
• β: 101.706 ± 0.002°
• γ: 99.829 ± 0.002°
• Cell volume: 1436.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No