Information card for entry 7211434

Structure parameters

• Formula: C19 H12 F2 O3
• Calculated formula: C19 H12 F2 O3
• SMILES: c1(ccc(F)cc1)c1cc(O)c(C(=O)O)c(c1)c1ccc(F)cc1
• Title of publication: Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives
• Authors of publication: Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 9893
• a: 13.4533 ± 0.0005 Å
• b: 9.833 ± 0.0004 Å
• c: 22.8428 ± 0.0009 Å
• α: 90°
• β: 93.222 ± 0.005°
• γ: 90°
• Cell volume: 3017 ± 0.2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No