Information card for entry 4130097

Structure parameters

• Formula: C36 H56 B2 F8 N6
• Calculated formula: C36 H56 B2 F8 N6
• Title of publication: Organocatalytic Kinetic Resolution of Sulfoximines.
• Authors of publication: Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; Raabe, Gerhard; Bolm, Carsten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2166 - 2169
• a: 9.3232 ± 0.0004 Å
• b: 9.8579 ± 0.0005 Å
• c: 43.235 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3973.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No