Information card for entry 7207763

Structure parameters

• Formula: C8 H10 B F4 N3 O2
• Calculated formula: C8 H10 B F4 N3 O2
• SMILES: [B](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: 11.5624 ± 0.0004 Å
• b: 8.3426 ± 0.0004 Å
• c: 12.2163 ± 0.0005 Å
• α: 90°
• β: 116.412 ± 0.002°
• γ: 90°
• Cell volume: 1055.39 ± 0.08 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: 0.0332
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No