Information card for entry 4038591

Structure parameters

• Formula: C27 H22 F3 N3 O5 S
• Calculated formula: C27 H22 F3 N3 O5 S
• Title of publication: Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.
• Authors of publication: Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.1231 ± 0.0005 Å
• b: 10.3591 ± 0.0006 Å
• c: 24.2386 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2541.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No