Information card for entry 2234181

Structure parameters

• Chemical name: 1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-<i>d</i>~6~ disolvate
• Formula: C24 H14 D12 O6 S2
• Calculated formula: C24 H14 D12 O6 S2
• SMILES: c1c(c(c2ccccc2)cc(c1c1ccccc1)C(=O)O)C(=O)O.O=S(C([2H])([2H])[2H])C([2H])([2H])[2H].O=S(C([2H])([2H])[2H])C([2H])([2H])[2H]
• Title of publication: 1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-<i>d</i>~6~ disolvate
• Authors of publication: Pop, Lucian C.; Preite, Marcelo; Manriquez, Juan Manuel; Vega, Andrés; Chavez, Ivonne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1192
• a: 6.5184 ± 0.0009 Å
• b: 8.8273 ± 0.0012 Å
• c: 10.6017 ± 0.0014 Å
• α: 97.076 ± 0.002°
• β: 97.074 ± 0.002°
• γ: 93.127 ± 0.002°
• Cell volume: 599.26 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes