Information card for entry 4021531

Structure parameters

• Formula: C31 H36 O5 Si
• Calculated formula: C31 H36 O5 Si
• SMILES: [Si](OC1=C[C@@H](OC)[C@H](C[C@@H]1OC)C(=O)Oc1ccccc1)(c1ccccc1)(c1ccccc1)C(C)(C)C
• 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: 10.3806 ± 0.0002 Å
• b: 14.2036 ± 0.0004 Å
• c: 19.7427 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910.9 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No