Information card for entry 4026851

Structure parameters

• Formula: C37 H48 O6 Si
• Calculated formula: C37 H48 O6 Si
• SMILES: [Si](O[C@@H]1C[C@H]2O[C@H](C1)C[C@@H](OC(=O)c1c(OCc3ccccc3)cccc1C2)CCOCc1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues
• Authors of publication: Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 388 - 399
• a: 7.7761 ± 0.0001 Å
• b: 11.0405 ± 0.0002 Å
• c: 39.4167 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3384 ± 0.1 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No