Information card for entry 1543364

Structure parameters

• Formula: C28 H48 O3 Si2
• Calculated formula: C28 H48 O3 Si2
• SMILES: [Si]1(O[Si](CC2(C(=O)[C@H]([C@H]2O[C@@H](c2c(cc(C(C)C)cc2C(C)C)C(C)C)C)C)C1)(C)C)(C)C.[Si]1(O[Si](CC2(C(=O)[C@@H]([C@@H]2O[C@H](c2c(cc(C(C)C)cc2C(C)C)C(C)C)C)C)C1)(C)C)(C)C
• Title of publication: Thermal [2 + 2]-Cycloaddition of Ketenes with Chiral Enol Ethers: Route to Densely Substituted Cyclobutanones.
• Authors of publication: Rullière, Pauline; Grisel, Julien; Poittevin, Clément; Cividino, Pascale; Carret, Sébastien; Poisson, Jean-François
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2824 - 2827
• a: 48.523 ± 0.01 Å
• b: 6.2947 ± 0.0013 Å
• c: 20.561 ± 0.004 Å
• α: 90°
• β: 107.18 ± 0.03°
• γ: 90°
• Cell volume: 6000 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No