Information card for entry 1505011

Structure parameters

• Formula: C28 H27 Cl N4 O3
• Calculated formula: C28 H27 Cl N4 O3
• SMILES: Clc1ccc(C2C(=C3N(C4=C2C(=O)CC(C4)(C)C)c2c(C(=O)N3)cccc2)C#N)cc1.N(C=O)(C)C
• Title of publication: Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives
• Authors of publication: Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1144
• a: 36.34 ± 0.015 Å
• b: 11.78 ± 0.005 Å
• c: 11.87 ± 0.005 Å
• α: 90°
• β: 102.714 ± 0.005°
• γ: 90°
• Cell volume: 4957 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No