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Information card for entry 4037005
Preview
Coordinates | 4037005.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Methyl 4-[1-(2-methyl-1,1-dioxido-4-tosyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazin-3-yl)vinyl]benzoate |
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Formula | C25 H24 N2 O6 S2 |
Calculated formula | C25 H24 N2 O6 S2 |
SMILES | S1(=O)(=O)N(C(N(S(=O)(=O)c2ccc(cc2)C)c2c1cccc2)C(=C)c1ccc(cc1)C(=O)OC)C |
Title of publication | A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides. |
Authors of publication | Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6596 - 6608 |
a | 12.154 ± 0.005 Å |
b | 22.713 ± 0.008 Å |
c | 8.812 ± 0.003 Å |
α | 90° |
β | 100.95 ± 0.02° |
γ | 90° |
Cell volume | 2388.3 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1002 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Weighted residual factors for all reflections included in the refinement | 0.1713 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
Diffraction radiation probe | x-ray |
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/4037005.html
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