Information card for entry 4116104

Structure parameters

• Formula: C75 H82 Cl2 Cu2 F6 N4 O6 S2
• Calculated formula: C75 H82 Cl2 Cu2 F6 N4 O6 S2
• Title of publication: Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines
• Authors of publication: Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 7132 - 7133
• a: 11.4466 ± 0.0006 Å
• b: 18.114 ± 0.0009 Å
• c: 19.5085 ± 0.0006 Å
• α: 69.387 ± 0.001°
• β: 78.246 ± 0.001°
• γ: 82.443 ± 0.001°
• Cell volume: 3698.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No