Information card for entry 2011207

Structure parameters

• Common name: diethyl 5, 6, 5',6'-tetramethylbiphenyl-2, 2'-dicarboxylate #
• Formula: C22 H26 O4
• Calculated formula: C22 H26 O4
• SMILES: O(C(=O)c1c(c(c(cc1)C)C)c1c(ccc(c1C)C)C(=O)OCC)CC
• Title of publication: C—H···O interactions in diethyl 5,5',6,6'-tetramethylbiphenyl-2,2'-dicarboxylate at 193K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1024 - 1025
• a: 8.9719 ± 0.0002 Å
• b: 10.7632 ± 0.0002 Å
• c: 10.8399 ± 0.0002 Å
• α: 92.9965 ± 0.001°
• β: 90.1788 ± 0.001°
• γ: 113.367 ± 0.0009°
• Cell volume: 959.28 ± 0.03 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No