Information card for entry 2234608

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-2,6-bis(1<i>H</i>-indol-3-yl)-1,4-dihydropyridine- 3,5-dicarbonitrile ethanol monosolvate
• Formula: C31 H24 Cl N5 O
• Calculated formula: C31 H24 Cl N5 O
• SMILES: Clc1ccc(C2C(=C(NC(=C2C#N)c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C#N)cc1.OCC
• Title of publication: 4-(4-Chlorophenyl)-2,6-bis(1<i>H</i>-indol-3-yl)-1,4-dihydropyridine-3,5-dicarbonitrile ethanol monosolvate
• Authors of publication: Zhu, Song-Lei; Zheng, Jun-Nian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1300 - o1301
• a: 9.2133 ± 0.0017 Å
• b: 11.611 ± 0.002 Å
• c: 12.473 ± 0.002 Å
• α: 87.714 ± 0.007°
• β: 83.297 ± 0.006°
• γ: 89.576 ± 0.007°
• Cell volume: 1324.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes