Information card for entry 2008152

Structure parameters

• Common name: 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: Cc1cc(C)c(c(c1)C(=O)O)c1c(C)cc(cc1C(=O)O)C
• Title of publication: Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid
• Authors of publication: Dobson, Allison J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 203 - 206
• a: 13.658 ± 0.001 Å
• b: 11.388 ± 0.001 Å
• c: 22.178 ± 0.002 Å
• α: 90°
• β: 106.951 ± 0.008°
• γ: 90°
• Cell volume: 3299.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No