Information card for entry 7228917

Structure parameters

• Common name: N2-(2-benzamidophenyl)-N6-phenylpyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex
• Formula: C42 H56 F N5 O3
• Calculated formula: C42 H56 F N5 O3
• Title of publication: Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers
• Authors of publication: Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.94745 ± 0.00005 Å
• b: 15.10359 ± 0.00011 Å
• c: 14.92421 ± 0.00009 Å
• α: 90°
• β: 106.155 ± 0.0006°
• γ: 90°
• Cell volume: 1937.19 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No