Information card for entry 1519558

Structure parameters

• Formula: C31 H55 F6 N2 P
• Calculated formula: C31 H55 F6 N2 P
• SMILES: c12ccccc1n(c[n+]2CCCCCCCCCCCC)CCCCCCCCCCCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C31H55F6N2P
• 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: 995
• a: 8.5353 ± 0.0004 Å
• b: 9.3386 ± 0.0003 Å
• c: 43.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3462.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No