Information card for entry 7213170

Structure parameters

• Formula: C29 H35 O3 P Si
• Calculated formula: C29 H35 O3 P Si
• SMILES: P(=O)([C@H]1[C@](O[C@H]2[C@H]1CCCC2)(O[Si](C)(C)C)c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([C@@H]1[C@@](O[C@@H]2[C@@H]1CCCC2)(O[Si](C)(C)C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stereoselective intramolecular acylation of γ′-benzoyloxyphosphine oxides with an internal chlorotrimethylsilane trap: isolation of silylated tetrahedral intermediates
• Authors of publication: Feeder, Neil; Hutton, Gordon; Nelson, Adam; Warren, Stuart
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3413
• a: 11.761 ± 0.002 Å
• b: 19.813 ± 0.003 Å
• c: 23.024 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5365.1 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections: 0.1692
• Weighted residual factors for significantly intense reflections: 0.1123
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No