Information card for entry 2217883

Structure parameters

• Common name: <i>tert</i>-Butyl 5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl carbonate
• Chemical name: <i>tert</i>-Butyl 5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl carbonate
• Formula: C17 H23 N O5
• Calculated formula: C17 H23 N O5
• SMILES: O=C1N([C@H](C[C@H]1OC(=O)OC(C)(C)C)c1ccc(OC)cc1)C.O=C1N([C@@H](C[C@@H]1OC(=O)OC(C)(C)C)c1ccc(OC)cc1)C
• Title of publication: <i>tert</i>-Butyl 5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl carbonate
• Authors of publication: Mohammat, M. Fazli; Shaameri, Zurina; Hamzah, A. Sazali; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o661 - o662
• a: 23.9157 ± 0.0004 Å
• b: 6.2788 ± 0.0001 Å
• c: 24.1224 ± 0.0004 Å
• α: 90°
• β: 101.971 ± 0.001°
• γ: 90°
• Cell volume: 3543.49 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes