Information card for entry 7213098

Structure parameters

• Formula: C18 H28 O8
• Calculated formula: C18 H28 O8
• SMILES: O1[C@H](C(CCC1=O)(C)C)CC(C(=O)OCC)(C(=O)OCC)C(=O)OCC
• Title of publication: Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts
• Authors of publication: Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2061
• a: 10.0392 ± 0.0008 Å
• b: 7.6254 ± 0.0006 Å
• c: 13.2278 ± 0.0011 Å
• α: 90°
• β: 107.559 ± 0.007°
• γ: 90°
• Cell volume: 965.45 ± 0.14 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No