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Information card for entry 4038785
Preview
Coordinates | 4038785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H28 N2 O6 S |
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Calculated formula | C36 H28 N2 O6 S |
Title of publication | Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones. |
Authors of publication | Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 19 |
Pages of publication | 12117 - 12127 |
a | 8.3197 ± 0.0003 Å |
b | 18.7648 ± 0.0008 Å |
c | 19.0758 ± 0.001 Å |
α | 90° |
β | 95.6621 ± 0.0016° |
γ | 90° |
Cell volume | 2963.5 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1295 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4038785.html
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Users of the data should acknowledge the original authors of the
structural data.