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Information card for entry 7158357
Preview
Coordinates | 7158357.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H23 N O5 |
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Calculated formula | C20 H23 N O5 |
SMILES | O1N(c2ccccc2)C(C(=O)OC)(/C2=C/CC/C=C\CC[C@@H]12)C(=O)OC |
Title of publication | Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes. |
Authors of publication | Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 44 |
Pages of publication | 9773 - 9784 |
a | 8.3206 ± 0.0001 Å |
b | 10.3874 ± 0.0001 Å |
c | 20.7185 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1790.69 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271205 (current) | 2021-12-07 | cif/ Updating files of 7158355, 7158356, 7158357, 7158358 Original log message: Adding full bibliography for 7158355--7158358.cif. |
7158357.cif |
270143 | 2021-10-29 | cif/ Adding structures of 7158355, 7158356, 7158357, 7158358 via cif-deposit CGI script. |
7158357.cif |
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Users of the data should acknowledge the original authors of the
structural data.