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Information card for entry 7156214
Preview
Coordinates | 7156214.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H12 O3 S |
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Calculated formula | C17 H12 O3 S |
Title of publication | Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency. |
Authors of publication | Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 3487 - 3494 |
a | 8.2863 ± 0.001 Å |
b | 8.959 ± 0.0011 Å |
c | 10.6474 ± 0.0012 Å |
α | 87.057 ± 0.01° |
β | 70.068 ± 0.011° |
γ | 71.08 ± 0.011° |
Cell volume | 701.38 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0685 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1231 |
Weighted residual factors for all reflections included in the refinement | 0.157 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
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/7156214.html
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structural data.