Information card for entry 4107305

Structure parameters

• Formula: C34 H59 Cl2 I O8 Si
• Calculated formula: C34 H59 Cl2 I O8 Si
• SMILES: IC[C@@H]1O[C@]2(O[C@H]3[C@@](O[C@@H](CC3)[C@H]3O[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@](O)(/C(=C/C(=O)OC(C)(C)C)C)C)(CC2)C)[C@H](C1)C.ClCCl
• Title of publication: Total Syntheses of the Assigned Structures of Lituarines B and C
• Authors of publication: Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 422 - 423
• a: 9.719 ± 0.01 Å
• b: 10.141 ± 0.01 Å
• c: 21.25 ± 0.02 Å
• α: 90°
• β: 98.578 ± 0.016°
• γ: 90°
• Cell volume: 2071 ± 4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No