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Information card for entry 4032242
Preview
Coordinates | 4032242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 O2 |
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Calculated formula | C13 H15 O2 |
SMILES | O[C@H]1[C@]23[C@@H](OCCC2)C=C[C@@H]1C=CC=C3.O[C@@H]1[C@@]23[C@H](OCCC2)C=C[C@H]1C=CC=C3 |
Title of publication | Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes. |
Authors of publication | D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 471 - 480 |
a | 11.9329 ± 0.0019 Å |
b | 6.4776 ± 0.0008 Å |
c | 14.471 ± 0.004 Å |
α | 90° |
β | 107.99 ± 0.02° |
γ | 90° |
Cell volume | 1063.9 ± 0.4 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1183 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.2033 |
Weighted residual factors for all reflections included in the refinement | 0.2494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032242.html
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