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Information card for entry 7150169
Preview
Coordinates | 7150169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 O6 |
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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 Å3 |
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 |
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