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Information card for entry 7238878
Preview
Coordinates | 7238878.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H17 Cl2 N O S |
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Calculated formula | C22 H17 Cl2 N O S |
Title of publication | Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions |
Authors of publication | Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 14 |
Pages of publication | 4643 |
a | 10.1879 ± 0.001 Å |
b | 10.7179 ± 0.001 Å |
c | 11.053 ± 0.0011 Å |
α | 95.363 ± 0.001° |
β | 109.891 ± 0.001° |
γ | 115.952 ± 0.001° |
Cell volume | 977.64 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7238878.html
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Users of the data should acknowledge the original authors of the
structural data.