Information card for entry 4133212

Structure parameters

• Formula: C59 H60 Br Cl N4 O5
• Calculated formula: C59 H60 Br Cl N4 O5
• Title of publication: Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.
• Authors of publication: Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13913 - 13920
• a: 12.1823 ± 0.0003 Å
• b: 16.0289 ± 0.0004 Å
• c: 13.5075 ± 0.0003 Å
• α: 90°
• β: 109.227 ± 0.0014°
• γ: 90°
• Cell volume: 2490.47 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No