Information card for entry 4027024

Structure parameters

• Formula: C23 H35 N O8
• Calculated formula: C23 H35 N O8
• SMILES: O=C(OC(C)(C)C)[C@H]1ON2OC[C@@H]3[C@@]2(C1)[C@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1.O=C(OC(C)(C)C)[C@@H]1ON2OC[C@H]3[C@]2(C1)[C@@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1
• 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: 10.1204 ± 0.0012 Å
• b: 17.7 ± 0.002 Å
• c: 26.514 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4749.5 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.3432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No