Information card for entry 7150169

Structure parameters

• Formula: C18 H20 O6
• Calculated formula: C18 H20 O6
• SMILES: O1[C@@H]2C(=C(C[C@H]([C@@H]2c2c1cccc2)COC(=O)C)C(=O)OCC)O.O1[C@H]2C(=C(C[C@@H]([C@H]2c2c1cccc2)COC(=O)C)C(=O)OCC)O
• Title of publication: Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.
• Authors of publication: Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 2296 - 2304
• a: 9.275 ± 0.001 Å
• b: 13.425 ± 0.002 Å
• c: 7.83 ± 0.001 Å
• α: 106.14 ± 0.01°
• β: 114.52 ± 0.01°
• γ: 71.4 ± 0.01°
• Cell volume: 828.6 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.913
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No