Information card for entry 7207766

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+]1cc(C(=O)N)ccc1
• Title of publication: Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers
• Authors of publication: Wu, An-Kai; Lee, Kwang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3424
• a: 13.247 ± 0.001 Å
• b: 11.2054 ± 0.001 Å
• c: 15.5055 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No