Information card for entry 1518482

Structure parameters

• Common name: 20120034
• Formula: C24 H20 N2 O
• Calculated formula: C24 H20 N2 O
• SMILES: O=C(n1c(c(c2ccccc2)c2c1cccc2)c1ccccc1)/C=C(\N)C
• Title of publication: Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles.
• Authors of publication: Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 310 - 313
• a: 8.8127 ± 0.001 Å
• b: 13.2298 ± 0.0012 Å
• c: 32.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3789.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No