Information card for entry 7205668

Structure parameters

• Formula: C10 H13 F6 N2 O3 P
• Calculated formula: C10 H13 F6 N2 O3 P
• SMILES: c1c(ccc[n+]1CC(=O)N)C(=O)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts
• Authors of publication: Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2318
• a: 6.2214 ± 0.0005 Å
• b: 8.6255 ± 0.0006 Å
• c: 26.3909 ± 0.0018 Å
• α: 90°
• β: 93.039 ± 0.004°
• γ: 90°
• Cell volume: 1414.21 ± 0.18 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: 0.0347
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No