Information card for entry 2200575

Structure parameters

• Formula: C21 H19 N3
• Calculated formula: C21 H19 N3
• SMILES: N#CC(=C1C=C(CC(C1)(C)C)/C=C/c1c2ccccc2[nH]c1)C#N
• Title of publication: 2-{3-[2-(1<i>H</i>-Indol-3-yl)vinyl]-5,5-dimethylcyclohex-2-enylidene}malononitrile
• Authors of publication: Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o760 - o761
• a: 15.5033 ± 0.0003 Å
• b: 7.5309 ± 0.0002 Å
• c: 15.9609 ± 0.0004 Å
• α: 90°
• β: 110.774 ± 0.001°
• γ: 90°
• Cell volume: 1742.34 ± 0.07 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: 0.162
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes