Information card for entry 7154534

Structure parameters

• Formula: C28 H28 N2
• Calculated formula: C28 H28 N2
• SMILES: n1(c([C@H](c2[nH]c3c(c2C)cccc3)c2cc(cc(c2)C)C)c(c2ccccc12)C)C
• Title of publication: Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.
• Authors of publication: Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 7993 - 8000
• a: 9.2098 ± 0.0001 Å
• b: 8.357 ± 0.0001 Å
• c: 14.8849 ± 0.0002 Å
• α: 90°
• β: 105.378 ± 0.001°
• γ: 90°
• Cell volume: 1104.62 ± 0.02 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No