Information card for entry 4022664

Structure parameters

• Common name: Paquette 1500
• Formula: C38 H54 O4 Si
• Calculated formula: C38 H54 O4 Si
• SMILES: [C@]123[C@H]([C@@H]([C@H](C[C@H]1C(C(=C2[C@H](CC3)O)C)(C)C)OC(=O)C(C)(C)C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Studies toward the Total Synthesis of Dumsin. 2. A Second Generation Approach Resulting in Enantioselective Construction of a Functionalized ABC Subunit of the Tetranortriterpenoid Insect Antifeedant
• Authors of publication: Leo A. Paquette; Yang Hu; Andreas Luxenburger; Raynauld L. Bishop
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 209 - 222
• a: 11.194 ± 0.002 Å
• b: 8.995 ± 0.002 Å
• c: 17.869 ± 0.003 Å
• α: 90°
• β: 92.509 ± 0.01°
• γ: 90°
• Cell volume: 1797.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No