Information card for entry 1520140

Structure parameters

• Formula: C22 H25 F6 N2 O P
• Calculated formula: C22 H25 F6 N2 O P
• SMILES: C1(C)(C)/[N+]([C@H](C(=O)N1C)Cc1ccccc1)=C/C=C/c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C22H25N2OF6P
• 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: 478
• a: 9.6974 ± 0.0001 Å
• b: 13.2347 ± 0.0002 Å
• c: 17.3564 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227.56 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No