Information card for entry 1502610

Structure parameters

• Formula: C28 H38 O5 Si2
• Calculated formula: C28 H38 O5 Si2
• SMILES: C[Si](C)(C)C#C[C@]12[C@]3(C=COC3=O)[C@@H]([C@H]([C@H](C=C1)OCc1ccccc1)O2)O[Si](C)(C)C(C)(C)C
• Title of publication: Total synthesis of polygalolide A.
• Authors of publication: Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6532 - 6535
• a: 13.4488 ± 0.0009 Å
• b: 12.1633 ± 0.0008 Å
• c: 18.4592 ± 0.0013 Å
• α: 90°
• β: 108.832 ± 0.002°
• γ: 90°
• Cell volume: 2857.9 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0904
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No