Information card for entry 1503407

Structure parameters

• Formula: C19 H35 I O2 Si2
• Calculated formula: C19 H35 I O2 Si2
• SMILES: I[C@@H]1[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O)CCC#C[Si](C)(C)C
• Title of publication: Enantioselective total synthesis of otteliones A and B.
• Authors of publication: Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1377 - 1379
• a: 8.6362 ± 0.0002 Å
• b: 9.5751 ± 0.0002 Å
• c: 30.8559 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2551.55 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No