Information card for entry 7110062

Structure parameters

• Formula: C21 H21 F N2 O3
• Calculated formula: C21 H21 F N2 O3
• SMILES: Fc1c([C@@H](CC(=N\O)/C(=O)OC)c2n(c3c(c2C)cccc3)C)cccc1
• Title of publication: Enantioselective Friedel-Crafts alkylation for synthesis of 2-substituted indole derivatives
• Authors of publication: Yulong Zhang; Xiaohua Liu; Xiaohu Zhao; Jianlin Zhang; Lin Zhou; Lili Lin; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11311
• a: 7.509 ± 0.007 Å
• b: 9.895 ± 0.006 Å
• c: 13.071 ± 0.006 Å
• α: 80.4 ± 0.04°
• β: 77.72 ± 0.05°
• γ: 82.79 ± 0.05°
• Cell volume: 931.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No