Information card for entry 4022590

Structure parameters

• Formula: C17 H32 O3 Si
• Calculated formula: C17 H32 O3 Si
• SMILES: [Si](OC[C@H]1[C@@H](O)[C@]2(O[C@H]2C[C@@H]1C(=C)C)C)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis and Correct Absolute Configuration of Malyngamide U
• Authors of publication: Yang Li; Jian-Peng Feng; Wen-Hua Wang; Jie Chen; Xiao-Ping Cao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2344 - 2350
• a: 6.5659 ± 0.0019 Å
• b: 8.378 ± 0.002 Å
• c: 37.112 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No