Information card for entry 4038590

Structure parameters

• Formula: C20 H16 F3 N3 O2
• Calculated formula: C20 H16 F3 N3 O2
• 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: 6.8083 ± 0.0006 Å
• b: 15.0243 ± 0.001 Å
• c: 34.886 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3568.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No