Information card for entry 4022036

Structure parameters

• Formula: C34 H38 O6 Si
• Calculated formula: C34 H38 O6 Si
• SMILES: [Si](OCC[C@@H]1[C@H]2[C@@]3(OC(=C1)c1ccoc1)[C@@](CCC2=O)(C(=O)OC3)C)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OCC[C@H]1[C@@H]2[C@]3(OC(=C1)c1ccoc1)[C@](CCC2=O)(C(=O)OC3)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin
• Authors of publication: Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8357 - 8364
• a: 10.3188 ± 0.0007 Å
• b: 10.5705 ± 0.0008 Å
• c: 27.269 ± 0.002 Å
• α: 90°
• β: 92.941 ± 0.001°
• γ: 90°
• Cell volume: 2970.5 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.686
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No