Information card for entry 4035513

Structure parameters

• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• SMILES: O=CC(c1c([nH]c2c1cccc2)C(c1ccccc1)c1ccccc1)CC
• Title of publication: Cooperative Catalysis-Enabled Asymmetric α-Arylation of Aldehydes Using 2-Indolylmethanols as Arylation Reagents.
• Authors of publication: Xu, Meng-Meng; Wang, Hai-Qing; Mao, Yu-Jia; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 9
• Pages of publication: 5027 - 5034
• a: 8.3683 ± 0.0005 Å
• b: 16.217 ± 0.001 Å
• c: 15.0187 ± 0.001 Å
• α: 90°
• β: 101.183 ± 0.003°
• γ: 90°
• Cell volume: 1999.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No