Information card for entry 2221865

Structure parameters

• Chemical name: (<i>E</i>)-2-{3-[4-(Diphenylamino)styryl]-5,5-dimethylcyclohex-2- enylidene}malononitrile
• Formula: C31 H27 N3
• Calculated formula: C31 H27 N3
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C
• Title of publication: (<i>E</i>)-2-{3-[4-(Diphenylamino)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile
• Authors of publication: Ju, Hai-Dong; Tao, Xu-Tang; Xu, Shi-Qing; Yu, Wen-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1135
• a: 13.239 ± 0.005 Å
• b: 16.757 ± 0.008 Å
• c: 11.886 ± 0.003 Å
• α: 90°
• β: 104.073 ± 0.005°
• γ: 90°
• Cell volume: 2557.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes