Information card for entry 2218897

Structure parameters

• Chemical name: 1,1,1,3,3,3-Hexafluoro-2,2-bis[4-(4-nitrophenoxy)phenyl]propane
• Formula: C27 H16 F6 N2 O6
• Calculated formula: C27 H16 F6 N2 O6
• SMILES: FC(F)(F)C(C(F)(F)F)(c1ccc(Oc2ccc(N(=O)=O)cc2)cc1)c1ccc(Oc2ccc(N(=O)=O)cc2)cc1
• Title of publication: 1,1,1,3,3,3-Hexafluoro-2,2-bis[4-(4-nitrophenoxy)phenyl]propane
• Authors of publication: Nawaz, H.; Akhter, Zareen; Bolte, Michael; Butt, M .S.; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1537
• a: 25.523 ± 0.003 Å
• b: 10.553 ± 0.0012 Å
• c: 9.3869 ± 0.0008 Å
• α: 90°
• β: 98.248 ± 0.008°
• γ: 90°
• Cell volume: 2502.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes