Information card for entry 4105225

Structure parameters

• Formula: C59 H49.25 B3 Cl3.25 N O7 S0.75
• Calculated formula: C59.203 H49.274 B3 Cl3.274 N O7 S0.783
• Title of publication: Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction
• Authors of publication: Gang Hu; Li Huang; Rui H. Huang; William D. Wulff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15615 - 15617
• a: 14.311 ± 0.003 Å
• b: 18.36 ± 0.004 Å
• c: 21.044 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5529 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No