Information card for entry 2006869

Structure parameters

• Chemical name: 1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline
• Formula: C25 H22 N2 O4
• Calculated formula: C25 H22 N2 O4
• SMILES: N1=C([C@](N([C@H]1c1ccccc1)C(=O)c1ccccc1)(O)C(=O)OCC)c1ccccc1
• Title of publication: 1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: IUC9700027
• a: 6.041 ± 0.0001 Å
• b: 9.9354 ± 0.0001 Å
• c: 18.3966 ± 0.0003 Å
• α: 90°
• β: 91.197 ± 0.001°
• γ: 90°
• Cell volume: 1103.92 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes