Information card for entry 2232691

Structure parameters

• Chemical name: <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^- Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine
• Formula: C33 H3 F20 N3 O4
• Calculated formula: C33 H3 F20 N3 O4
• SMILES: O=C(c1c(F)c(F)c(c(c1F)F)F)N(C(=O)c1c(F)c(F)c(c(c1F)F)F)c1cccc(n1)N(C(=O)c1c(F)c(F)c(c(c1F)F)F)C(=O)c1c(F)c(F)c(c(c1F)F)F
• Title of publication: <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine
• Authors of publication: Valkonen, Arto; Kolehmainen, Erkki; Ośmiałowski, Borys
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3429 - o3430
• a: 21.237 ± 0.0005 Å
• b: 6.394 ± 0.0001 Å
• c: 23.1045 ± 0.0005 Å
• α: 90°
• β: 100.585 ± 0.001°
• γ: 90°
• Cell volume: 3083.96 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes