Information card for entry 4021810

Structure parameters

• Formula: C32 H50 O4 Si2
• Calculated formula: C32 H50 O4 Si2
• SMILES: [Si](O[C@@H](C)C[C@H]1OC(=O)[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)CC1)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Stereoselective Synthesis of the Published Structure of Feigrisolide A. Structural Revision of Feigrisolides A and B
• Authors of publication: Paula Álvarez-Bercedo; Juan Murga; Miguel Carda; J. Alberto Marco
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5766 - 5769
• a: 11.4799 ± 0.0009 Å
• b: 11.002 ± 0.0008 Å
• c: 13.6671 ± 0.0011 Å
• α: 90°
• β: 102.557 ± 0.002°
• γ: 90°
• Cell volume: 1684.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1644
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No