Information card for entry 2234139

Structure parameters

• Common name: 2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]- 1-(3,4,5-trimethoxyphenyl)ethane
• Chemical name: 5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5- trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene
• Formula: C34 H36 Cl2 O7
• Calculated formula: C34 H36 Cl2 O7
• SMILES: c1(ccc(cc1)C[C@H](c1cc(c(c(c1)OC)OC)OC)O[C@H](Cc1ccc(cc1)Cl)c1cc(c(c(c1)OC)OC)OC)Cl.c1(ccc(cc1)C[C@@H](c1cc(c(c(c1)OC)OC)OC)O[C@@H](Cc1ccc(cc1)Cl)c1cc(c(c(c1)OC)OC)OC)Cl
• Title of publication: 5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene
• Authors of publication: Fu, Ying; Yuan, Mu; Hu, Xuemei; Yang, Yanshou; Hou, Hongxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1007
• a: 13.3326 ± 0.0008 Å
• b: 13.5487 ± 0.0008 Å
• c: 18.1703 ± 0.0011 Å
• α: 90°
• β: 100.036 ± 0.003°
• γ: 90°
• Cell volume: 3232 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes