Information card for entry 2231950

Structure parameters

• Chemical name: 1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene
• Formula: C40 H32 Cl2 O4
• Calculated formula: C40 H32 Cl2 O4
• SMILES: Clc1ccc([C@@]2(OCc3ccccc3)c3c(OC)ccc4ccc(OC)c(c34)[C@@]2(OCc2ccccc2)c2ccc(Cl)cc2)cc1
• Title of publication: 1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene
• Authors of publication: Takada, Teruhisa; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2562 - o2563
• a: 10.9773 ± 0.0002 Å
• b: 12.6514 ± 0.0002 Å
• c: 12.9171 ± 0.0002 Å
• α: 102.387 ± 0.001°
• β: 104.899 ± 0.001°
• γ: 103.306 ± 0.001°
• Cell volume: 1614.03 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes