Information card for entry 1519733

Structure parameters

• Formula: C11 H15 F6 N2 P
• Calculated formula: C11 H15 F6 N2 P
• SMILES: c12ccccc1[n+](cn2C)CCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C11H15F6N2P
• 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: 967
• a: 9.2017 ± 0.0001 Å
• b: 16.0731 ± 0.0003 Å
• c: 18.2782 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2703.34 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No