Information card for entry 1508577

Structure parameters

• Formula: C27 H24 N2 O2
• Calculated formula: C27 H24 N2 O2
• SMILES: COc1ccc(cc1)C(=O)C(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
• Title of publication: Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones.
• Authors of publication: Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3392 - 3395
• a: 11.29 ± 0.002 Å
• b: 24.184 ± 0.005 Å
• c: 8.2547 ± 0.0016 Å
• α: 90°
• β: 110.166 ± 0.003°
• γ: 90°
• Cell volume: 2115.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0767
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1507862
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No