Information card for entry 7103333

Structure parameters

• Formula: C32 H26 F3 N3 O3
• Calculated formula: C32 H26 F3 N3 O3
• SMILES: FC(F)(F)c1ccc(OC(=O)c2c(c3ccc4N5Cc6cc(NC(=O)C)ccc6N(Cc4c3)C5)c(ccc2)C)cc1
• Title of publication: Substituent effects on the aromatic edge-to-face interaction.
• Authors of publication: Fischer, Felix Raoul; Schweizer, W Bernd; Diederich, François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4031 - 4033
• a: 10.3299 ± 0.0003 Å
• b: 12.4818 ± 0.0004 Å
• c: 20.5365 ± 0.0007 Å
• α: 90°
• β: 97.4946 ± 0.0012°
• γ: 90°
• Cell volume: 2625.27 ± 0.14 ų
• Cell temperature: 223 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: 0.098
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No