Information card for entry 4022753

Structure parameters

• Formula: C13 H16 O3 Si
• Calculated formula: C13 H16 O3 Si
• SMILES: [Si](C1C2=C(c3c(C1)coc3)COC2=O)(C)(C)C
• Title of publication: A New Route to Highly Functionalized Heterocyclic Rings
• Authors of publication: Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1395 - 1398
• a: 17.5244 ± 0.0014 Å
• b: 7.44 ± 0.0005 Å
• c: 12.9055 ± 0.001 Å
• α: 90°
• β: 129.607 ± 0.003°
• γ: 90°
• Cell volume: 1296.36 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No