Information card for entry 7125179

Structure parameters

• Formula: C44 H50 O2 Si2 Sm
• Calculated formula: C44 H50 O2 Si2 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: 13.1871 ± 0.0002 Å
• b: 13.1871 ± 0.0002 Å
• c: 11.4268 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.12 ± 0.08 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No