Information card for entry 7235688

Structure parameters

• Formula: C11 H19 F3 N2 O4 S
• Calculated formula: C11 H19 F3 N2 O4 S
• Title of publication: Asymmetric aldol reaction organocatalyzed by bifunctional N-prolyl sulfinamides under solvent-free conditions
• Authors of publication: Wan, Wen; Gao, Wei; Ma, Guobin; Ma, Lei; Wang, Fan; Wang, Jing; Jiang, Haizhen; Zhu, Shizheng; Hao, Jian
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 51
• Pages of publication: 26563
• a: 7.76 ± 0.03 Å
• b: 9.31 ± 0.03 Å
• c: 21.48 ± 0.08 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1552 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No