Information card for entry 2018230

Structure parameters

• Chemical name: 2,3,4,5,6-pentafluorophenol‒phenazine (5/1)
• Formula: C42 H13 F25 N2 O5
• Calculated formula: C42 H13 F25 N2 O5
• Title of publication: 5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine
• Authors of publication: Czapik, Agnieszka; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o341 - o345
• a: 16.1015 ± 0.0007 Å
• b: 4.5223 ± 0.0002 Å
• c: 27.4753 ± 0.0012 Å
• α: 90°
• β: 97.315 ± 0.004°
• γ: 90°
• Cell volume: 1984.35 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes