Information card for entry 7160524

Structure parameters

• Formula: C33.5 H27.5 Cl1.5 F N2 O3
• Calculated formula: C33.5 H27.5 Cl1.5 F N2 O3
• Title of publication: Organocatalytic asymmetric synthesis of axially and centrally chiral heterotriarylmethanes by a Friedel-Crafts reaction.
• Authors of publication: Min, Yang; Shen, Hanxiao; Huang, Shaoying; Gu, Haorui; Lin, Xufeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5359 - 5372
• a: 11.5056 ± 0.0007 Å
• b: 13.8298 ± 0.0008 Å
• c: 18.2204 ± 0.0011 Å
• α: 90°
• β: 98.022 ± 0.002°
• γ: 90°
• Cell volume: 2870.9 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No