Information card for entry 7107886

Structure parameters

• Formula: C38 H20 F10 N2 O4
• Calculated formula: C38 H20 F10 N2 O4
• SMILES: c12c3c(ccc1ccc(c2C1=C3C2([C@H]3[C@@H](C1([C@H]1[C@@H]2C(=O)N(C1=O)c1c(c(c(c(c1F)F)F)F)F)C)C(=O)N(C3=O)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: 12.407 ± 0.004 Å
• b: 27.476 ± 0.008 Å
• c: 9.607 ± 0.003 Å
• α: 90°
• β: 110.687 ± 0.006°
• γ: 90°
• Cell volume: 3063.8 ± 1.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No