Information card for entry 2220272

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,2,3,3,4,4,4-heptafluorobutyl)naphthalene-1,4:5,8- tetracarboximide
• Formula: C22 H8 F14 N2 O4
• Calculated formula: C22 H8 F14 N2 O4
• SMILES: FC(C(C(F)(F)F)(F)F)(CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CC(C(C(F)(F)F)(F)F)(F)F)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,2,3,3,4,4,4-heptafluorobutyl)naphthalene-1,4:5,8-tetracarboximide
• Authors of publication: Shukla, Deepak; Rajeswaran, Manju; Ahearn, Wendy G.; Meyer, Dianne M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2327
• a: 5.191 ± 0.0005 Å
• b: 10.1459 ± 0.0012 Å
• c: 11.5988 ± 0.0015 Å
• α: 66.693 ± 0.004°
• β: 79.064 ± 0.004°
• γ: 89.115 ± 0.007°
• Cell volume: 549.64 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1806
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes