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Information card for entry 1504473
Preview
Coordinates | 1504473.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 07010 |
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Formula | C18 H26 O4 |
Calculated formula | C18 H26 O4 |
SMILES | O1[C@@H]2[C@@H](OC1(C)C)CC(=O)[C@@]1(CCC(=O)[C@]([C@@H]21)(C)CC=C)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 | 8.5681 ± 0.0008 Å |
b | 9.8276 ± 0.0009 Å |
c | 9.9822 ± 0.001 Å |
α | 90° |
β | 96.726 ± 0.002° |
γ | 90° |
Cell volume | 834.75 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/1504473.html
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Users of the data should acknowledge the original authors of the
structural data.