Information card for entry 1519555

Structure parameters

• Formula: C25 H43 F6 N2 P
• Calculated formula: C25 H43 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(CCCCCCCCC)c[n+](c2c1cccc2)CCCCCCCCC
• Title of publication: C25H43F6N2P
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 962
• a: 8.2038 ± 0.0002 Å
• b: 9.2704 ± 0.0002 Å
• c: 35.2128 ± 0.0008 Å
• α: 90°
• β: 91.468 ± 0.001°
• γ: 90°
• Cell volume: 2677.14 ± 0.11 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: 0.1336
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.2945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No