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Information card for entry 1545393
Preview
Coordinates | 1545393.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H16 O3 |
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Calculated formula | C11 H16 O3 |
SMILES | O1C(=O)C[C@@H]2OC(CC=C[C@]12C)(C)C.O1C(=O)C[C@H]2OC(CC=C[C@@]12C)(C)C |
Title of publication | Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. |
Authors of publication | Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 6 |
Pages of publication | 1478 - 1481 |
a | 9.2526 ± 0.0004 Å |
b | 9.5299 ± 0.0004 Å |
c | 11.8393 ± 0.0004 Å |
α | 90° |
β | 100.902 ± 0.001° |
γ | 90° |
Cell volume | 1025.11 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0616 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/1545393.html
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Users of the data should acknowledge the original authors of the
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