Information card for entry 4130769

Structure parameters

• Formula: C28 H48 O4 Si
• Calculated formula: C28 H48 O4 Si
• SMILES: [Si](O[C@H]1CC[C@@]2([C@H]3CC[C@@]4(O[C@@]5(OC(=O)CC5)CC[C@H]4[C@@H]3CC[C@H]2C1)C)C)(C)(C)C(C)(C)C
• Title of publication: Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.
• Authors of publication: Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 33
• Pages of publication: 10693 - 10699
• a: 8.682 ± 0.002 Å
• b: 10.303 ± 0.003 Å
• c: 15.433 ± 0.004 Å
• α: 90°
• β: 101.054 ± 0.004°
• γ: 90°
• Cell volume: 1354.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No