Information card for entry 4030593

Structure parameters

• Formula: C26 H37 Cl O6 S Si
• Calculated formula: C26 H37 Cl O6 S Si
• SMILES: Cl[C@@]1(S(=O)(=O)c2ccccc2)C(=O)C[C@@]2(C(=CC[C@H]1C2=O)OC)CO[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.
• Authors of publication: Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 3
• Pages of publication: 1735 - 1745
• a: 8.1853 ± 0.0003 Å
• b: 8.4902 ± 0.0002 Å
• c: 10.5848 ± 0.0003 Å
• α: 94.6382 ± 0.0017°
• β: 108.843 ± 0.0017°
• γ: 91.7329 ± 0.0018°
• Cell volume: 692.65 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No