Information card for entry 1508720

Structure parameters

• Formula: C31 H43 N O8 Si
• Calculated formula: C31 H43 N O8 Si
• SMILES: [Si](OC[C@@]1(NC(=O)[C@@H]([C@@]1(O)[C@@H](OC)C[C@H](COC(=O)C)C)C)C(=O)O)(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: 9.5047 ± 0.0001 Å
• b: 13.4605 ± 0.0002 Å
• c: 24.465 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No