Information card for entry 4028407

Structure parameters

• Formula: C26 H44 N4 O8 Si2
• Calculated formula: C26 H44 N4 O8 Si2
• SMILES: [Si]1(O[Si](OC[C@@H]2[C@H](O[C@H](C2)C/C=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)CO1)(C(C)C)C(C)C)(C(C)C)C(C)C.[Si]1(O[Si](OC[C@H]2[C@@H](O[C@@H](C2)C/C=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)CO1)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects
• Authors of publication: Vi Tuong Tran; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6609 - 6621
• a: 22.418 ± 0.006 Å
• b: 7.659 ± 0.0019 Å
• c: 18.298 ± 0.005 Å
• α: 90°
• β: 100.87 ± 0.004°
• γ: 90°
• Cell volume: 3085.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1617
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No