Information card for entry 7116937

Structure parameters

• Formula: C30 H21 Cl N2
• Calculated formula: C30 H21 Cl N2
• SMILES: Clc1cc2cc3n(c2cc1)c(cc(c3)c1ccccc1)c1c(ncc(c1)C)c1ccccc1
• 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: 8.8053 ± 0.0004 Å
• b: 11.2771 ± 0.001 Å
• c: 12.0975 ± 0.0013 Å
• α: 67.401 ± 0.009°
• β: 89.113 ± 0.007°
• γ: 83.151 ± 0.006°
• Cell volume: 1100.51 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No