Information card for entry 1519828

Structure parameters

• Formula: C13 H19 F6 N2 O P
• Calculated formula: C13 H19 F6 N2 O P
• SMILES: CN1C(=O)[C@H](Cc2ccccc2)[NH2+]C1(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 5-Benzyl-2,2,3-trimethyl-imidazolidin-4-one
• Authors of publication: Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 308
• a: 11.756 ± 0.0004 Å
• b: 15.6189 ± 0.0003 Å
• c: 18.4464 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3387.05 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No