Information card for entry 7150167

Structure parameters

• Formula: C21 H20 O4
• Calculated formula: C21 H20 O4
• SMILES: O1[C@@H]2C(=C(C[C@H]([C@@H]2c2c1cccc2)c1ccccc1)C(=O)OCC)O.O1[C@H]2C(=C(C[C@@H]([C@H]2c2c1cccc2)c1ccccc1)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: 22.3809 ± 0.0009 Å
• b: 17.2516 ± 0.0008 Å
• c: 9.034 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488.1 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.934
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No