Information card for entry 2205441

Structure parameters

• Chemical name: 1,2-Bis(2-chlorophenyl)-1,2-bis(3,4-dimethylphenyl)ethane-1,2-diol
• Formula: C30 H28 Cl2 O2
• Calculated formula: C30 H28 Cl2 O2
• SMILES: Clc1ccccc1[C@@]([C@](c1ccccc1Cl)(c1ccc(c(c1)C)C)O)(c1ccc(c(c1)C)C)O.Clc1ccccc1[C@]([C@@](c1ccccc1Cl)(c1ccc(c(c1)C)C)O)(c1ccc(c(c1)C)C)O
• Title of publication: 1,2-Bis(2-chlorophenyl)-1,2-bis(3,4-dimethylphenyl)ethane-1,2-diol
• Authors of publication: N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Nethaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o886 - o888
• a: 7.667 ± 0.002 Å
• b: 22.862 ± 0.006 Å
• c: 14.654 ± 0.004 Å
• α: 90°
• β: 104.478 ± 0.004°
• γ: 90°
• Cell volume: 2487 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No