Information card for entry 7155421

Structure parameters

• Formula: C32 H24 N2
• Calculated formula: C32 H24 N2
• SMILES: [nH]1c2c(C(c3c(n(c4c3cccc4)C)C=C2c2ccccc2)c2ccccc2)c2c1cccc2
• Title of publication: Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.
• Authors of publication: Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 863 - 869
• a: 22.805 ± 0.006 Å
• b: 8.174 ± 0.002 Å
• c: 24 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No