Information card for entry 2233625

Structure parameters

• Chemical name: (2<i>E</i>,6<i>E</i>)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one
• Formula: C22 H20 O
• Calculated formula: C22 H20 O
• Title of publication: (2<i>E</i>,6<i>E</i>)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one
• Authors of publication: Abaee, M. Saeed; Massa, Werner; Mojtahedi, Mohammad M.; Mesbah, A. Wahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o355
• a: 10.7108 ± 0.0014 Å
• b: 7.2772 ± 0.0007 Å
• c: 11.469 ± 0.0014 Å
• α: 90°
• β: 114.366 ± 0.014°
• γ: 90°
• Cell volume: 814.32 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes