Information card for entry 2222425

Structure parameters

• Chemical name: 4,4'-[4,4'-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline
• Formula: C27 H20 F6 N2 O2
• Calculated formula: C27 H20 F6 N2 O2
• SMILES: O(c1ccc(C(C(F)(F)F)(C(F)(F)F)c2ccc(Oc3ccc(N)cc3)cc2)cc1)c1ccc(N)cc1
• Title of publication: 4,4'-[4,4'-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline
• Authors of publication: Nawaz, Haq; Akhter, Zareen; Bolte, Michael; Siddiqui, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1460
• a: 11.6914 ± 0.0012 Å
• b: 25.641 ± 0.002 Å
• c: 7.7625 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes