Information card for entry 2201455

Structure parameters

• Formula: C20 H20 N2
• Calculated formula: C20 H20 N2
• SMILES: N#CC(=C1C=C(CC(C1)(C)C)/C=C/c1ccc(cc1)C)C#N
• Title of publication: 2-[5,5-Dimethyl-3-(2-<i>p</i>-tolyl-vinyl)-cyclohex-2-enylidene]-malononitrile
• Authors of publication: Kolev, Tsonko; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Spiteller, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1093 - o1094
• a: 13.527 ± 0.0003 Å
• b: 16.1781 ± 0.0003 Å
• c: 16.3616 ± 0.0004 Å
• α: 90°
• β: 102.381 ± 0.0009°
• γ: 90°
• Cell volume: 3497.32 ± 0.13 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1838
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes