Information card for entry 2215434

Structure parameters

• Chemical name: Ethyl 1-benzoyl-4-chloro-2-phenylprolinate
• Formula: C20 H20 Cl N O3
• Calculated formula: C20 H20 Cl N O3
• SMILES: CCOC(=O)C1(CC(CN1C(=O)c1ccccc1)Cl)c1ccccc1
• Title of publication: Ethyl 1-benzoyl-4-chloro-2-phenylprolinate
• Authors of publication: Tamazyan, Rafael; Ayvazyan, Armen; Martirosyan, Ashot; Martirosyan, Vahan; Raymond Schinazi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3967 - o3967
• a: 9.4241 ± 0.0019 Å
• b: 10.073 ± 0.002 Å
• c: 19.849 ± 0.004 Å
• α: 90°
• β: 102.52 ± 0.03°
• γ: 90°
• Cell volume: 1839.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes