Information card for entry 4107392

Structure parameters

• Formula: C25 H24 N2 O7.25
• Calculated formula: C25 H24 N2 O7.196
• SMILES: O=N(=O)c1cc(N(=O)=O)cc(c1)C(=O)O[C@H]([C@@H](C)c1ccccc1)C[C@@](O)(C)c1ccccc1.O.O=N(=O)c1cc(N(=O)=O)cc(c1)C(=O)O[C@@H]([C@H](C)c1ccccc1)C[C@](O)(C)c1ccccc1
• 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: 12.966 ± 0.004 Å
• b: 7.848 ± 0.002 Å
• c: 24.942 ± 0.005 Å
• α: 90°
• β: 114.475 ± 0.012°
• γ: 90°
• Cell volume: 2310 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No