Information card for entry 2209837

Structure parameters

• Chemical name: (4R,5R)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate
• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: O=C([O-])[C@@H]1[NH2+][C@@H]([C@H](N1)c1ccccc1)c1ccccc1.OC
• Title of publication: (4<i>R</i>,5<i>R</i>)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate
• Authors of publication: Biskupska, Inga; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3271 - o3273
• a: 5.9624 ± 0.0004 Å
• b: 8.8288 ± 0.0006 Å
• c: 29.4086 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1548.09 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes