Information card for entry 1553867

Structure parameters

• Formula: C23 H20 N O2
• Calculated formula: C23 H21 N O2
• SMILES: OCCc1c([nH]c2c1cccc2)[C@@H](c1c(O)cccc1)c1ccccc1
• Title of publication: Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols
• Authors of publication: Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 2465
• a: 18.5578 ± 0.0009 Å
• b: 18.5578 ± 0.0009 Å
• c: 9.8682 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2943.2 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No