Information card for entry 7116934

Structure parameters

• Formula: C32 H26 N2 O2
• Calculated formula: C32 H26 N2 O2
• SMILES: n12c(cc(cc2c2c(c3ccc(OC)cc3)nccc2)c2ccc(OC)cc2)c(c2c1cccc2)C
• Title of publication: Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols
• Authors of publication: Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6777
• a: 18.889 ± 0.002 Å
• b: 7.1199 ± 0.0008 Å
• c: 18.6541 ± 0.0019 Å
• α: 90°
• β: 104.646 ± 0.011°
• γ: 90°
• Cell volume: 2427.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No