Information card for entry 4021530

Structure parameters

• Formula: C28 H35 N O5 Si
• Calculated formula: C28 H35 N O5 Si
• SMILES: [Si](OC1=C[C@@H](OCC)[C@@H]2[C@@H](C(=O)N(C2=O)C)[C@@H]1OC)(C(C)(C)C)(c1ccccc1)c1ccccc1.[Si](OC1=C[C@H](OCC)[C@H]2[C@H](C(=O)N(C2=O)C)[C@H]1OC)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes
• Authors of publication: Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 1892 - 1901
• a: 13.629 ± 0.003 Å
• b: 12.626 ± 0.002 Å
• c: 16.359 ± 0.004 Å
• α: 90°
• β: 105.21 ± 0.02°
• γ: 90°
• Cell volume: 2716.4 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No