Information card for entry 1519560

Structure parameters

• Formula: C13 H19 F6 N2 P
• Calculated formula: C13 H19 F6 N2 P
• SMILES: n1(CCC)c[n+](CCC)c2c1cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C13H19F6N2P
• Authors of publication: Butts, Craig; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 1214
• a: 9.6325 ± 0.0003 Å
• b: 16.6358 ± 0.0006 Å
• c: 9.8585 ± 0.0003 Å
• α: 90°
• β: 103.591 ± 0.002°
• γ: 90°
• Cell volume: 1535.53 ± 0.09 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: 0.0448
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No