Information card for entry 2224516

Structure parameters

• Chemical name: (<i>E</i>)-2-(1,3-Diphenylallylidene)malononitrile
• Formula: C18 H12 N2
• Calculated formula: C18 H12 N2
• SMILES: C(=C\c1ccccc1)/C(=C(C#N)C#N)c1ccccc1
• Title of publication: (<i>E</i>)-2-(1,3-Diphenylallylidene)malononitrile
• Authors of publication: Kang, Tai-Ran; Chen, Lian-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3164
• a: 12.1658 ± 0.0006 Å
• b: 14.8852 ± 0.0009 Å
• c: 8.1959 ± 0.0007 Å
• α: 90°
• β: 108.457 ± 0.006°
• γ: 90°
• Cell volume: 1407.85 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes