Information card for entry 7155563

Structure parameters

• Formula: C16 H28 O3 Si
• Calculated formula: C16 H28 O3 Si
• SMILES: [Si](C#C[C@@H]([C@H]1[C@@H](C(=O)OC1)[C@H](O)[C@H](CC)C)C)(C)(C)C
• Title of publication: Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.
• Authors of publication: Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 3728 - 3735
• a: 12.0052 ± 0.001 Å
• b: 9.6664 ± 0.0006 Å
• c: 15.8157 ± 0.0012 Å
• α: 90°
• β: 96.318 ± 0.008°
• γ: 90°
• Cell volume: 1824.2 ± 0.2 ų
• Cell temperature: 105.3 K
• Ambient diffraction temperature: 105.3 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: 0.0456
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No