Information card for entry 1565316

Structure parameters

• Formula: C30 H23 Cl F9 N O2
• Calculated formula: C30 H23 Cl F9 N O2
• SMILES: Clc1cc2NC(=O)[C@](c2cc1)(c1cccc(OC)c1)[C@@]1(CCCc2c1cccc2)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.Clc1cc2NC(=O)[C@@](c2cc1)(c1cc(OC)ccc1)[C@]1(CCCc2c1cccc2)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling
• Authors of publication: Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.6563 ± 0.0009 Å
• b: 14.4425 ± 0.0011 Å
• c: 16.7878 ± 0.0012 Å
• α: 114.164 ± 0.002°
• β: 91.725 ± 0.002°
• γ: 103.585 ± 0.002°
• Cell volume: 2693.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No