Information card for entry 7151814

Structure parameters

• Formula: C13 H25 I O2 Si
• Calculated formula: C13 H25 I O2 Si
• SMILES: C1(=CC[C@H]([C@H]([C@H]1O)C)O[Si](C)(C)C(C)(C)C)I
• Title of publication: Total synthesis and absolute configuration of malyngamide W.
• Authors of publication: Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3817 - 3824
• a: 11.5224 ± 0.0012 Å
• b: 11.6757 ± 0.0014 Å
• c: 12.5624 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No