Information card for entry 2015420

Structure parameters

• Chemical name: 2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine
• Formula: C12 H F10 N
• Calculated formula: C12 H F10 N
• SMILES: Fc1c(Nc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• Title of publication: 2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine
• Authors of publication: Grzegorczyk, Monika; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o419 - o422
• a: 21.293 ± 0.003 Å
• b: 5.9659 ± 0.0008 Å
• c: 4.4306 ± 0.0006 Å
• α: 90°
• β: 101.702 ± 0.011°
• γ: 90°
• Cell volume: 551.13 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes