Information card for entry 7107885

Structure parameters

• Formula: C28 H16 F5 N O2
• Calculated formula: C28 H16 F5 N O2
• SMILES: c12c3c(ccc1ccc(c2c1c(c2C(=O)N(C(=O)c2c(c31)C)c1c(c(c(c(c1F)F)F)F)F)C)C)C
• 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: 16.691 ± 0.005 Å
• b: 7.731 ± 0.002 Å
• c: 16.655 ± 0.005 Å
• α: 90°
• β: 107.022 ± 0.006°
• γ: 90°
• Cell volume: 2055 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No