Information card for entry 4024908

Structure parameters

• Formula: C27 H36 O5 Si
• Calculated formula: C27 H36 O5 Si
• SMILES: [Si](O[C@@]1(C(C[C@H](C1)c1ccccc1)(C(=O)OC)C(=O)OC)c1ccccc1)(C)(C)C(C)(C)C.[Si](O[C@]1(C(C[C@@H](C1)c1ccccc1)(C(=O)OC)C(=O)OC)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds
• Authors of publication: Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7684 - 7689
• a: 10.4978 ± 0.0009 Å
• b: 20.863 ± 0.0018 Å
• c: 12.9367 ± 0.0012 Å
• α: 90°
• β: 109.675 ± 0.002°
• γ: 90°
• Cell volume: 2667.9 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No