Information card for entry 1569693

Structure parameters

• Formula: C31 H27 F3 N4 O2
• Calculated formula: C31 H27 F3 N4 O2
• Title of publication: Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.
• Authors of publication: Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 9496 - 9502
• a: 10.5678 ± 0.0002 Å
• b: 11.8802 ± 0.0003 Å
• c: 21.0636 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2644.48 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.032
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No