Information card for entry 1508719

Structure parameters

• Chemical name: (2S,3S,4S)-tert-butyl 3-allyl-2-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-2-((methoxymethoxy)methyl)-4-methylpyrrolidine-1-carboxylate
• Formula: C33 H49 N O6 Si
• Calculated formula: C33 H49 N O6 Si
• SMILES: [Si](OC[C@]1(N(C[C@H]([C@]1(O)CC=C)C)C(=O)OC(C)(C)C)COCOC)(c1ccccc1)(C(C)(C)C)c1ccccc1.[Si](OC[C@@]1(N(C[C@@H]([C@@]1(O)CC=C)C)C(=O)OC(C)(C)C)COCOC)(c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.
• Authors of publication: Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5460 - 5463
• a: 10.3589 ± 0.0002 Å
• b: 30.3196 ± 0.0005 Å
• c: 11.4539 ± 0.0002 Å
• α: 90°
• β: 115.063 ± 0.0007°
• γ: 90°
• Cell volume: 3258.69 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No