Information card for entry 2240002

Structure parameters

• Chemical name: 4-(1<i>H</i>-Indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
• Formula: C27 H19 N3 O
• Calculated formula: C27 H19 N3 O
• SMILES: c1(cc(c(c(c2c3ccccc3[nH]c2)n1)C#N)c1ccc(cc1)OC)c1ccccc1
• Title of publication: Crystal structure of 4-(1<i>H</i>-indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
• Authors of publication: Vishnupriya, R.; Suresh, J.; Sakthi, Marimuthu; Perumal, Subbu; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1120 - o1121
• a: 15.7102 ± 0.0005 Å
• b: 10.7491 ± 0.0003 Å
• c: 24.3648 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes