Information card for entry 7125178

Structure parameters

• Formula: C32 H66 O Si6 Sm
• Calculated formula: C32 H66 O Si6 Sm
• Title of publication: SmCp^R₂-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.
• Authors of publication: Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 92
• Pages of publication: 13503 - 13506
• a: 11.287 ± 0.0003 Å
• b: 22.3415 ± 0.0007 Å
• c: 16.921 ± 0.0005 Å
• α: 90°
• β: 97.974 ± 0.003°
• γ: 90°
• Cell volume: 4225.7 ± 0.2 ų
• Cell temperature: 150.01 ± 0.13 K
• Ambient diffraction temperature: 150.01 ± 0.13 K
• Number of distinct elements: 5
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No