Information card for entry 7228916

Structure parameters

• Common name: N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide
• Formula: C33 H23 N7 O8
• Calculated formula: C33 H23 N7 O8
• SMILES: O=C(Nc1ccccc1NC(=O)c1nc(ccc1)C(=O)Nc1ccccc1NC(=O)c1ccccc1N(=O)=O)c1c(N(=O)=O)cccc1
• 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: 14.96763 ± 0.00011 Å
• b: 15.13591 ± 0.00011 Å
• c: 12.96566 ± 0.0001 Å
• α: 90°
• β: 98.955 ± 0.0007°
• γ: 90°
• Cell volume: 2901.55 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No