Information card for entry 2001354

Structure parameters

• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: N1(C(=O)c2ccccc2)C(c2ccccc2)=NC(C)(C)C1(C)C.O
• Title of publication: Structure of 1-benzoyl-4,4,5,5-tetramethyl-2-phenylimidazoline hydrate
• Authors of publication: Flippen-Anderson, J. L.; Zajac, W. W.; Buzby, J. H.; Walters, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1792 - 1793
• a: 9.755 ± 0.004 Å
• b: 10.8 ± 0.004 Å
• c: 17.797 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No