Information card for entry 4027023

Structure parameters

• Formula: C13 H19 Ag N O6
• Calculated formula: C13 H20 Ag N O6
• SMILES: [Ag]C[C@@H]1CC(C(=O)OC)(C(=O)OC)[C@H]([C@@H]1N(=O)=O)C(C)C.[Ag]C[C@H]1CC([C@@H]([C@H]1N(=O)=O)C(C)C)(C(=O)OC)C(=O)OC
• Title of publication: Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds
• Authors of publication: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2236 - 2245
• a: 10.888 ± 0.002 Å
• b: 11.294 ± 0.002 Å
• c: 15.876 ± 0.003 Å
• α: 78.3 ± 0.03°
• β: 79.01 ± 0.03°
• γ: 61.71 ± 0.03°
• Cell volume: 1673.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No