Information card for entry 2234051

Structure parameters

• Chemical name: (2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone
• Formula: C20 H14 Cl4 O
• Calculated formula: C20 H14 Cl4 O
• SMILES: Clc1c(/C=C\2C(=O)C(=C\c3c(Cl)cccc3Cl)\CCC2)c(Cl)ccc1
• Title of publication: (2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone
• Authors of publication: Mahdavinia, Gholam Hossein; Mirzazadeh, Maryam; Amani, Vahid; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o778
• a: 17.917 ± 0.004 Å
• b: 7.3094 ± 0.0015 Å
• c: 14.093 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes