Information card for entry 4036803

Structure parameters

• Formula: C17 H29 N O4 Si
• Calculated formula: C17 H29 N O4 Si
• SMILES: [Si](O[C@]12O[C@H]([C@@H]([C@]2(N(=O)=O)CC=C1)C1CCCCC1)C)(C)(C)C
• Title of publication: Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.
• Authors of publication: Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4664 - 4681
• a: 7.0168 ± 0.0016 Å
• b: 11.99 ± 0.003 Å
• c: 22.723 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No