Information card for entry 4109829

Structure parameters

• Formula: C14 H22 N O5
• Calculated formula: C14 H22 N O5
• SMILES: C1[C@@H]2CCC([C@H]1C(C2)(C(=O)OCC)C(=O)OCC)=NO.C1[C@H]2CCC([C@@H]1C(C2)(C(=O)OCC)C(=O)OCC)=NO
• Title of publication: Construction of Bridged and Fused Ring Systems via Intramolecular Michael Reactions of Vinylnitroso Compounds
• Authors of publication: Ilia Korboukh; Praveen Kumar; Steven M. Weinreb
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10342 - 10343
• a: 12.467 ± 0.003 Å
• b: 15.301 ± 0.004 Å
• c: 14.892 ± 0.004 Å
• α: 90°
• β: 90.615 ± 0.005°
• γ: 90°
• Cell volume: 2840.6 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1498
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No