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Information card for entry 1546234
Preview
Coordinates | 1546234.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H20 N4 O5 |
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Calculated formula | C22 H20 N4 O5 |
SMILES | O1c2ccccc2C(=N\Nc2c(N(=O)=O)cc(N(=O)=O)cc2)/[C@@]21C1=CCCC[C@@]1(C2)C.O1c2ccccc2C(=N\Nc2c(N(=O)=O)cc(N(=O)=O)cc2)/[C@]21C1=CCCC[C@]1(C2)C |
Title of publication | Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation. |
Authors of publication | Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 11 |
Pages of publication | 3017 - 3020 |
a | 7.3583 ± 0.0003 Å |
b | 8.6653 ± 0.0003 Å |
c | 15.7812 ± 0.0005 Å |
α | 94.049 ± 0.003° |
β | 95.948 ± 0.003° |
γ | 105.631 ± 0.003° |
Cell volume | 958.7 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1546234.html
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Users of the data should acknowledge the original authors of the
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