Information card for entry 7107887

Structure parameters

• Formula: C28 H8 F5 N O2
• Calculated formula: C28 H8 F5 N O2
• SMILES: Fc1c(F)c(F)c(N2C(=O)c3c4c5c6c7c(ccc6cc4)ccc4c7c5c(c3C2=O)cc4)c(F)c1F
• Title of publication: Electron-poor N-substituted imide-fused corannulenes
• Authors of publication: Bernd Schmidt; Berit Topolinski; Phillip Roesch; Dieter Lentz
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6520
• a: 16.4353 ± 0.0005 Å
• b: 7.3459 ± 0.0002 Å
• c: 16.452 ± 0.0004 Å
• α: 90°
• β: 108.036 ± 0.002°
• γ: 90°
• Cell volume: 1888.68 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No