Information card for entry 2215464

Structure parameters

• Chemical name: (4R,5S)-Methyl 1,3-dibenzyl-5-[(R)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carbonyl]- 2-oxoimidazolidine-4-carboxylate
• Formula: C37 H37 N3 O5
• Calculated formula: C37 H37 N3 O5
• SMILES: O=C1N([C@@H]([C@@H](N1Cc1ccccc1)C(=O)OC)C(=O)N1[C@H](CCC1)C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: (4<i>R</i>,5<i>S</i>)-Methyl 1,3-dibenzyl-5-[(<i>R</i>)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carbonyl]-2-oxoimidazolidine-4-carboxylate
• Authors of publication: Jian Liu; Fen-Er Chen; Min-Qin Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4127 - o4127
• a: 12.075 ± 0.004 Å
• b: 10.907 ± 0.004 Å
• c: 12.328 ± 0.004 Å
• α: 90°
• β: 101.396 ± 0.005°
• γ: 90°
• Cell volume: 1591.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0645
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes