Information card for entry 7214651

Structure parameters

• Formula: C8 H10 F6 N3 O2 P
• Calculated formula: C8 H10 F6 N3 O2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C(N)C[n+]1ccc(C(=O)N)cc1
• Title of publication: Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding
• Authors of publication: Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 6072
• a: 8.8952 ± 0.0008 Å
• b: 12.8953 ± 0.0012 Å
• c: 11.1052 ± 0.001 Å
• α: 90°
• β: 96.686 ± 0.002°
• γ: 90°
• Cell volume: 1265.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No