Information card for entry 1520278

Structure parameters

• Formula: C16 H20 F9 N2 P
• Calculated formula: C16 H20 F9 N2 P
• SMILES: C1CCC(C(F)(F)F)/[N+]1=C/C=C/c1ccc(cc1)N(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C16H20F9N2P
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Tomkinson, N.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 421
• a: 20.7923 ± 0.0009 Å
• b: 10.7114 ± 0.0005 Å
• c: 8.4013 ± 0.0003 Å
• α: 90°
• β: 94.923 ± 0.003°
• γ: 90°
• Cell volume: 1864.19 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No