Information card for entry 2210203

Structure parameters

• Chemical name: 3,3'-Bis(2,4-dichlorophenoxyacetyl)-1,1'-(2,2'-dimethylbiphenyl-4,4'- diyl)dithiourea N,N-dimethylformamide disolvate
• Formula: C38 H40 Cl4 N6 O6 S2
• Calculated formula: C38 H40 Cl4 N6 O6 S2
• SMILES: O=C(NC(=S)Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=S)NC(=O)COc1ccc(cc1Cl)Cl)COc1ccc(cc1Cl)Cl.O=CN(C)C.O=CN(C)C
• Title of publication: 3,3'-Bis(2,4-dichlorophenoxyacetyl)-1,1'-(2,2'-dimethylbiphenyl-4,4'-diyl)dithiourea <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Qian-Jin Li; Chun-long Yang; Xue-Qun Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4104 - o4105
• a: 10.012 ± 0.002 Å
• b: 10.488 ± 0.002 Å
• c: 11.124 ± 0.002 Å
• α: 67.78 ± 0.03°
• β: 77.92 ± 0.03°
• γ: 78.07 ± 0.03°
• Cell volume: 1046.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1738
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes