Information card for entry 2005781

Structure parameters

• Chemical name: (3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one
• Formula: C24 H29 N O4
• Calculated formula: C24 H29 N O4
• SMILES: O1C(=O)[C@H](C[C@H]1[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1
• Title of publication: (3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one
• Authors of publication: Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3165 - 3167
• a: 9.4429 ± 0.0006 Å
• b: 11.3908 ± 0.0008 Å
• c: 21.123 ± 0.002 Å
• α: 90 ± 0.007°
• β: 90 ± 0.008°
• γ: 90 ± 0.005°
• Cell volume: 2272 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.0744
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No