Information card for entry 4107391

Structure parameters

• Formula: C23 H28 N2 O7
• Calculated formula: C23 H28 N2 O7
• SMILES: [C@H](C)(c1ccccc1)[C@H](C[C@@](C)(C=C(C)C)O)OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O.[C@@H](C)(c1ccccc1)[C@@H](C[C@](C)(C=C(C)C)O)OC(=O)c1cc(cc(c1)N(=O)=O)N(=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: 5.9705 ± 0.0018 Å
• b: 12.7 ± 0.004 Å
• c: 15.989 ± 0.005 Å
• α: 111.141 ± 0.005°
• β: 100.421 ± 0.005°
• γ: 94.74 ± 0.005°
• Cell volume: 1097.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No