Information card for entry 4107393

Structure parameters

• Formula: C18 H21 F O2
• Calculated formula: C18 H21 F O2
• SMILES: c1(ccc(cc1)F)[C@@](c1ccccc1)(C[C@H](C(C)C)O)O.c1(ccc(cc1)F)[C@](c1ccccc1)(C[C@@H](C(C)C)O)O
• Title of publication: Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot
• Authors of publication: Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1580 - 1582
• a: 9.079 ± 0.005 Å
• b: 16.098 ± 0.009 Å
• c: 20.702 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3026 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No