Information card for entry 2004018

Structure parameters

• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: O=C(OC(C)(C)C)N[C@H]([C@H]1C(=O)N[C@H]([C@H]1O)Cc1ccccc1)Cc1ccccc1
• Title of publication: (3<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Benzyl-4-hydroxy-3-[1(<i>S</i>)-(1,1-dimethylethoxycarbonylamino)-2-phenylethyl]pyrrolidin-2-one
• Authors of publication: Weber, H. P.; Ettmayer, P.; Hübner, M.; Gstach, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2139 - 2141
• a: 10.293 ± 0.012 Å
• b: 14.21 ± 0.03 Å
• c: 15.6 ± 0.03 Å
• α: 90 ± 0.02°
• β: 90 ± 0.05°
• γ: 90 ± 0.06°
• Cell volume: 2282 ± 7 ų
• Cell temperature: 295 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 significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 3.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No