Information card for entry 1569692

Structure parameters

• Formula: C31 H23 F3 N4 O2
• Calculated formula: C31 H23 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: 10.581 ± 0.0003 Å
• b: 12.0311 ± 0.0003 Å
• c: 20.7727 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2644.39 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No