Information card for entry 7217689

Structure parameters

• Formula: C18 H24 F3 N3 O3
• Calculated formula: C18 H24 F3 N3 O3
• SMILES: FC(C(=O)Nc1cc(NC(=O)C(F)(C)C)cc(NC(=O)C(F)(C)C)c1)(C)C
• Title of publication: Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides
• Authors of publication: Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9273
• a: 11.8863 ± 0.0044 Å
• b: 15.3948 ± 0.0059 Å
• c: 10.5539 ± 0.004 Å
• α: 90°
• β: 95.0116 ± 0.0023°
• γ: 90°
• Cell volume: 1923.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No