Information card for entry 2017732

Structure parameters

• Chemical name: quinoxaline–2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)
• Formula: C14 H8 F4 N2 O2
• Calculated formula: C14 H8 F4 N2 O2
• SMILES: Oc1c(F)c(F)c(O)c(F)c1F.n1ccnc2ccccc12
• Title of publication: Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds
• Authors of publication: Czapik, Agnieszka; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o356 - o360
• a: 7.2094 ± 0.0005 Å
• b: 7.429 ± 0.0004 Å
• c: 23.585 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes