Information card for entry 2200795

Structure parameters

• Formula: C22 H24 N2 O3
• Calculated formula: C22 H24 N2 O3
• SMILES: O(c1c(/C=C/C2=CC(=C(C#N)C#N)CC(C2)(C)C)c(OC)cc(OC)c1)C
• Title of publication: Triclinic form of 2-{5,5-dimethyl-3-[2-(2,4,6-trimethoxyphenyl)vinyl]cyclohex-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: 10
• Pages of publication: o966 - o967
• a: 7.5983 ± 0.0003 Å
• b: 11.4757 ± 0.0004 Å
• c: 11.5774 ± 0.0004 Å
• α: 84.8457 ± 0.0015°
• β: 82.2149 ± 0.0016°
• γ: 79.0257 ± 0.0017°
• Cell volume: 979.77 ± 0.06 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes