Information card for entry 7116699

Structure parameters

• Formula: C15 H26 O5 Si
• Calculated formula: C15 H26 O5 Si
• SMILES: C1(=O)C2=C(CO1)[C@H]([C@@]([C@@H](C2)O[Si](C)(C)C(C)(C)C)(C)O)O.C1(=O)C2=C(CO1)[C@@H]([C@]([C@H](C2)O[Si](C)(C)C(C)(C)C)(C)O)O
• Title of publication: Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus
• Authors of publication: Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 17
• Pages of publication: 3586 - 3589
• a: 15.0354 ± 0.0013 Å
• b: 6.2653 ± 0.0005 Å
• c: 36.895 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475.6 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7116562
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No