Information card for entry 7211437

Structure parameters

• Formula: C19 H14 F2 N2 O2
• Calculated formula: C19 H14 F2 N2 O2
• SMILES: c1(ccc(F)cc1)c1cc(O)c(C(=O)NN)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: 5.6775 ± 0.0003 Å
• b: 30.6798 ± 0.0009 Å
• c: 9.5451 ± 0.0004 Å
• α: 90°
• β: 105.898 ± 0.004°
• γ: 90°
• Cell volume: 1599.02 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No