Information card for entry 1553950

Structure parameters

• Formula: C28 H20 N4
• Calculated formula: C28 H20 N4
• SMILES: C(=C\c1cc2ccccc2n1c1ncccc1)/c1cc2ccccc2n1c1ncccc1
• Title of publication: Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes
• Authors of publication: Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1096
• a: 10.4482 ± 0.0002 Å
• b: 7.41078 ± 0.00018 Å
• c: 13.6312 ± 0.0004 Å
• α: 90°
• β: 105.538 ± 0.003°
• γ: 90°
• Cell volume: 1016.88 ± 0.05 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No