Information card for entry 4037403

Structure parameters

• Formula: C26 H21 N3 O
• Calculated formula: C26 H21 N3 O
• SMILES: N1(C(=O)[C@](c2ccccc12)(c1[nH]c2c(c1C)cccc2)c1c[nH]c2c1cccc2)C
• Title of publication: Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.
• Authors of publication: Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11734 - 11742
• a: 9.251 ± 0.0011 Å
• b: 11.3325 ± 0.0013 Å
• c: 20.531 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No