Information card for entry 2227586

Structure parameters

• Chemical name: 5,8-Dimethoxy-2-phenyl-1,4-dihydroquinoline-3-carbonitrile
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: C1(=C(Cc2c(ccc(c2N1)OC)OC)C#N)c1ccccc1
• Title of publication: 5,8-Dimethoxy-2-phenyl-1,4-dihydroquinoline-3-carbonitrile
• Authors of publication: Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2312 - o2313
• a: 3.9952 ± 0.0003 Å
• b: 20.4544 ± 0.0015 Å
• c: 17.7313 ± 0.0013 Å
• α: 90°
• β: 95.976 ± 0.005°
• γ: 90°
• Cell volume: 1441.12 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1008
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes