Information card for entry 1556400

Structure parameters

• Formula: C10 H18 O2 Si
• Calculated formula: C10 H18 O2 Si
• SMILES: C[Si](C#C[C@@H](C)[C@@H](C)C(=O)O)(C)C.C[Si](C#C[C@H](C)[C@H](C)C(=O)O)(C)C
• Title of publication: Highly selective 4-alkynoic acids synthesis via iron-mediated complete inversion of stereogenic carbon centers
• Authors of publication: Zhang, Xiaobing; Qiu, Youai; Fu, Chunling; Ma, Shengming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 247
• a: 6.427 ± 0.0007 Å
• b: 24.105 ± 0.002 Å
• c: 8.3807 ± 0.0008 Å
• α: 90°
• β: 98.77 ± 0.008°
• γ: 90°
• Cell volume: 1283.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No