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Information card for entry 7155326
Preview
Coordinates | 7155326.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H22 O3 |
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Calculated formula | C14 H22 O3 |
SMILES | [C@@]1(C[C@H]2CCC(C(=C2C(=O)O1)O)(C)C)(C)CC.[C@]1(C[C@@H]2CCC(C(=C2C(=O)O1)O)(C)C)(C)CC |
Title of publication | Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes. |
Authors of publication | Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2017 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 584 - 588 |
a | 5.704 ± 0.002 Å |
b | 6.297 ± 0.003 Å |
c | 18.887 ± 0.009 Å |
α | 93.901 ± 0.011° |
β | 95.455 ± 0.01° |
γ | 106.13 ± 0.01° |
Cell volume | 645.6 ± 0.5 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1448 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.1943 |
Weighted residual factors for all reflections included in the refinement | 0.2402 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/7155326.html
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