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Information card for entry 1503552
Preview
Coordinates | 1503552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H19 Cl O3 |
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Calculated formula | C13 H19 Cl O3 |
SMILES | [C@@]12(CCCC(=O)[C@]1(C)CC[C@H]([C@@H]2C(=O)C)Cl)O.[C@]12(CCCC(=O)[C@@]1(C)CC[C@@H]([C@H]2C(=O)C)Cl)O |
Title of publication | Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions. |
Authors of publication | Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 1 |
Pages of publication | 366 - 369 |
a | 13.2969 ± 0.0004 Å |
b | 10.1697 ± 0.0005 Å |
c | 9.6831 ± 0.0004 Å |
α | 90° |
β | 105.662 ± 0.002° |
γ | 90° |
Cell volume | 1260.79 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0446 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/1503552.html
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