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Information card for entry 1504471
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Coordinates | 1504471.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 06039 |
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Formula | C19 H26 O6 |
Calculated formula | C19 H26 O6 |
SMILES | O(C1=C([C@H]2[C@](C(=O)C[C@H]3OC(O[C@H]23)(C)C)(CC1)C)C)C(=O)OCC=C |
Title of publication | Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A. |
Authors of publication | Burns, Aaron C.; Forsyth, Craig J. |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 1 |
Pages of publication | 97 - 100 |
a | 13.2953 ± 0.0018 Å |
b | 9.3972 ± 0.0013 Å |
c | 15.81 ± 0.002 Å |
α | 90° |
β | 110.029 ± 0.002° |
γ | 90° |
Cell volume | 1855.8 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0484 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1256 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1504471.html
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Users of the data should acknowledge the original authors of the
structural data.