Information card for entry 2226199

Structure parameters

• Chemical name: 2,6-Bis(2,4-dimethylbenzylidene)cyclohexanone
• Formula: C24 H26 O
• Calculated formula: C24 H26 O
• SMILES: O=C1C(=C\c2c(cc(cc2)C)C)\CCC/C1=C\c1c(cc(cc1)C)C
• Title of publication: 2,6-Bis(2,4-dimethylbenzylidene)cyclohexanone
• Authors of publication: Solanko, Katarzyna A.; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1435
• a: 6.9784 ± 0.0004 Å
• b: 19.254 ± 0.0012 Å
• c: 14.2829 ± 0.001 Å
• α: 90°
• β: 102.179 ± 0.003°
• γ: 90°
• Cell volume: 1875.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes