Information card for entry 4028572

Structure parameters

• Formula: C41 H56 N4 O10 Si
• Calculated formula: C41 H56 N4 O10 Si
• SMILES: [Si](O[C@]1(N(C(=O)[C@]2(OC(=O)C)N([C@H]3Nc4c([C@]3([C@@H]2OC(=O)C)c2c3ccccc3n(c2)C(=O)OC(C)(C)C)cccc4)C1=O)C)C)(C)(C)C(C)(C)C.OC(C)C
• Title of publication: Enantioselective Total Syntheses of Plectosphaeroic Acids B and C
• Authors of publication: Salman Y. Jabri; Larry E. Overman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8766 - 8788
• a: 13.9515 ± 0.0006 Å
• b: 7.4841 ± 0.0003 Å
• c: 20.7748 ± 0.0009 Å
• α: 90°
• β: 98.7267 ± 0.0005°
• γ: 90°
• Cell volume: 2144.08 ± 0.16 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No