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Information card for entry 7132590
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7132590.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H21 N3 O3 S |
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Calculated formula | C24 H21 N3 O3 S |
SMILES | S(=O)(=O)(N1N2C=Nc3ccccc3[C@@H]2Oc2ccccc2[C@@H]1C=C)c1ccc(cc1)C.S(=O)(=O)(N1N2C=Nc3ccccc3[C@H]2Oc2ccccc2[C@H]1C=C)c1ccc(cc1)C |
Title of publication | 4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines. |
Authors of publication | Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | 1436 - 1439 |
a | 8.0853 ± 0.0005 Å |
b | 10.9301 ± 0.0007 Å |
c | 13.3531 ± 0.0008 Å |
α | 104.791 ± 0.002° |
β | 92.638 ± 0.002° |
γ | 111.152 ± 0.002° |
Cell volume | 1051.52 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7132590.html
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Users of the data should acknowledge the original authors of the
structural data.