Information card for entry 4022498

Structure parameters

• Formula: C14 H19 N O4
• Calculated formula: C14 H19 N O4
• SMILES: O1N(=O)=C([C@@H](C[C@]1(OC)C)c1ccc(OC)cc1)C.O1N(=O)=C([C@H](C[C@@]1(OC)C)c1ccc(OC)cc1)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: 7.831 ± 0.004 Å
• b: 8.097 ± 0.004 Å
• c: 11.193 ± 0.006 Å
• α: 87.022 ± 0.01°
• β: 71.556 ± 0.013°
• γ: 85.261 ± 0.012°
• Cell volume: 670.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1148
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No