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Information card for entry 4105607
Preview
Coordinates | 4105607.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H24 O3 |
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Calculated formula | C17 H24 O3 |
SMILES | CC(=O)O[C@H]1C=C([C@H]2C(=O)[C@]31[C@H](CC[C@@H]3C2(C)C)C)C.CC(=O)O[C@@H]1C=C([C@@H]2C(=O)[C@@]31[C@@H](CC[C@H]3C2(C)C)C)C |
Title of publication | An Oxidative Dearomatization-Induced [5 + 2] Cascade Enabling the Syntheses of α-Cedrene, α-Pipitzol, and sec-Cedrenol |
Authors of publication | Jason C. Green; Thomas R. R. Pettus |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1603 - 1608 |
a | 8.8538 ± 0.0011 Å |
b | 10.9367 ± 0.0014 Å |
c | 16.39 ± 0.002 Å |
α | 90° |
β | 101.059 ± 0.003° |
γ | 90° |
Cell volume | 1557.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0979 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.422 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105607.html
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