Information card for entry 7150170

Structure parameters

• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• SMILES: O1C(=O)[C@]2(C[C@H]([C@H]2c2c1cccc2)c1ccccc1)C(=O)OCC.O1C(=O)[C@@]2(C[C@@H]([C@@H]2c2c1cccc2)c1ccccc1)C(=O)OCC
• 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: 11.759 ± 0.001 Å
• b: 9.091 ± 0.002 Å
• c: 15.774 ± 0.001 Å
• α: 90°
• β: 103.766 ± 0.006°
• γ: 90°
• Cell volume: 1637.8 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No