Information card for entry 1556060

Structure parameters

• Formula: C20 H34 O10 Si
• Calculated formula: C20 H34 O10 Si
• SMILES: [Si](O[C@]1(C(=O)OC)CC[C@]2(O[C@@H]([C@@]1(O2)C(=O)OC)C(=O)OC)CCO)(C)(C)C(C)(C)C
• Title of publication: Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.
• Authors of publication: Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3540 - 3543
• a: 9.5791 ± 0.0001 Å
• b: 8.5119 ± 0.0001 Å
• c: 15.0831 ± 0.0002 Å
• α: 90°
• β: 100.912 ± 0.0015°
• γ: 90°
• Cell volume: 1207.58 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No