Information card for entry 4037404

Structure parameters

• Formula: C26 H21 N3 O
• Calculated formula: C26 H21 N3 O
• SMILES: O=C1N(c2ccccc2C\1=C1\Nc2c(C1(C)c1c[nH]c3ccccc13)cccc2)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: 10.0804 ± 0.0004 Å
• b: 13.1042 ± 0.0006 Å
• c: 15.9458 ± 0.0007 Å
• α: 90°
• β: 105.516 ± 0.002°
• γ: 90°
• Cell volume: 2029.6 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No