Information card for entry 2228847

Structure parameters

• Chemical name: 2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile
• Formula: C26 H19 Cl N2 O
• Calculated formula: C26 H19 Cl N2 O
• SMILES: Clc1c(C(CC(=O)c2ccccc2)CC(=C(C#N)C#N)c2ccccc2)cccc1
• Title of publication: 2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile
• Authors of publication: Du, Bai-Xiang; Zhou, Jie; Li, Yu-Ling; Wang, Xiang-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o62
• a: 12.445 ± 0.0003 Å
• b: 14.3866 ± 0.0003 Å
• c: 24.1913 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4331.24 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes