Information card for entry 4518882

Structure parameters

• Formula: C31 H34 N2 O4 Si
• Calculated formula: C31 H34 N2 O4 Si
• Title of publication: Enantioselective and Diastereoselective C‒H Alkylation of Benzamides: Synergized Axial and Central Chirality via a Single Stereodetermining Step
• Authors of publication: Wang, Jinlei; Chen, Haohua; Kong, Lingheng; Wang, Fen; Lan, Yu; Li, Xingwei
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 9151 - 9158
• a: 9.3942 ± 0.0003 Å
• b: 10.1393 ± 0.0003 Å
• c: 16.2354 ± 0.0005 Å
• α: 97.191 ± 0.001°
• β: 100.275 ± 0.001°
• γ: 105.856 ± 0.001°
• Cell volume: 1438.82 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No