Information card for entry 1547223

Structure parameters

• Formula: C22 H20 F N O
• Calculated formula: C22 H20 F N O
• SMILES: Fc1c(cccc1)[C@H]1N(O[C@@H]([C@H]1c1ccccc1)C)c1ccccc1.Fc1c(cccc1)[C@@H]1N(O[C@H]([C@@H]1c1ccccc1)C)c1ccccc1
• Title of publication: Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.
• Authors of publication: Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5086 - 5089
• a: 13.4005 ± 0.0007 Å
• b: 9.5236 ± 0.0007 Å
• c: 14.6548 ± 0.0007 Å
• α: 90°
• β: 105.033 ± 0.005°
• γ: 90°
• Cell volume: 1806.25 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No