Information card for entry 1519746

Structure parameters

• Formula: C12 H17 F6 N2 P
• Calculated formula: C12 H17 F6 N2 P
• SMILES: c12ccccc1[n+](cn2C)CC(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C12H17F6N2P
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 965
• a: 10.8197 ± 0.0005 Å
• b: 11.9252 ± 0.0007 Å
• c: 11.2662 ± 0.0006 Å
• α: 90°
• β: 92.577 ± 0.004°
• γ: 90°
• Cell volume: 1452.17 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No