Information card for entry 2220213

Structure parameters

• Chemical name: Bis{4-[(3-phenylallylidene)amino]cyclohexyl}methane trichloromethane solvate
• Formula: C32 H39 Cl3 N2
• Calculated formula: C32 H39 Cl3 N2
• SMILES: ClC(Cl)Cl.N(=C\C=C\c1ccccc1)/C1CCC(CC1)CC1CCC(/N=C/C=C/c2ccccc2)CC1
• Title of publication: Bis{4-[(3-phenylallylidene)amino]cyclohexyl}methane trichloromethane solvate
• Authors of publication: Menzel, Roberto; Göbel, Angela; Görls, Helmar; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2362
• a: 11.7987 ± 0.0006 Å
• b: 15.7755 ± 0.0007 Å
• c: 17.1014 ± 0.0006 Å
• α: 80.427 ± 0.002°
• β: 85.05 ± 0.003°
• γ: 78.6 ± 0.002°
• Cell volume: 3072.1 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.1674
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes