Information card for entry 4022499

Structure parameters

• Formula: C17 H27 N O4 Si
• Calculated formula: C17 H27 N O4 Si
• SMILES: [Si](C)(ON1O[C@](OC)(C[C@H](C1=C)c1ccc(OC)cc1)C)(C)C.[Si](C)(ON1O[C@@](OC)(C[C@@H](C1=C)c1ccc(OC)cc1)C)(C)C
• Title of publication: 2-Silyloxy-1,2-oxazines, a New Type of Acetals of Conjugated Nitroso Alkenes
• Authors of publication: Alexander A. Tishkov; Alexey V. Lesiv; Yulya A. Khomutova; Yury A. Strelenko; Ivan D. Nesterov; Michael Yu. Antipin; Sema L. Ioffe; Scott E. Denmark
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 9477 - 9480
• a: 10.786 ± 0.003 Å
• b: 12.596 ± 0.004 Å
• c: 14.031 ± 0.005 Å
• α: 90°
• β: 98.51 ± 0.03°
• γ: 90°
• Cell volume: 1885.3 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4022497
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No