Information card for entry 4030592

Structure parameters

• Formula: C17 H18 O6 S
• Calculated formula: C17 H18 O6 S
• SMILES: S(=O)(=O)(C1=C[C@@]2(OC)CCC(=O)[C@@]2(CO)CC1=O)c1ccccc1
• 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: 12.68 ± 0.02 Å
• b: 19.14 ± 0.03 Å
• c: 6.208 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1507 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No