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Information card for entry 4033136
Preview
Coordinates | 4033136.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H20 O3 |
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Calculated formula | C13 H20 O3 |
SMILES | [C@@H]1([C@@H]([C@@H](C=C2CCC[C@H]12)CC)O)C(=O)OC.[C@H]1([C@H]([C@H](C=C2CCC[C@@H]12)CC)O)C(=O)OC |
Title of publication | Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride. |
Authors of publication | Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 23 |
Pages of publication | 12798 - 12805 |
a | 5.2724 ± 0.0003 Å |
b | 12.5941 ± 0.0006 Å |
c | 19.4644 ± 0.001 Å |
α | 76.207 ± 0.001° |
β | 85.49 ± 0.002° |
γ | 85.984 ± 0.002° |
Cell volume | 1249.54 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0572 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4033136.html
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Users of the data should acknowledge the original authors of the
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