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Information card for entry 1504471
Preview
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 |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504471.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504471.cif |
42090 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504471 via cif-deposit CGI script. |
1504471.cif |
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Users of the data should acknowledge the original authors of the
structural data.