Information card for entry 4033754

Structure parameters

• Formula: C30 H19 Cl N2 O2
• Calculated formula: C30 H19 Cl N2 O2
• SMILES: Clc1ccc(c2nc3N(c4c(C(=O)c3c(c2)c2ccccc2)c(O)ccc4)c2ccccc2)cc1
• Title of publication: Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.
• Authors of publication: Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1999 - 2011
• a: 10.739 ± 0.005 Å
• b: 11.862 ± 0.005 Å
• c: 18.168 ± 0.008 Å
• α: 90°
• β: 96.767 ± 0.008°
• γ: 90°
• Cell volume: 2298.2 ± 1.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No