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Information card for entry 7247249
Preview
Coordinates | 7247249.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H11 N3 O S |
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Calculated formula | C12 H11 N3 O S |
Title of publication | Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate |
Authors of publication | Maity, Rajib; Bankura, Abhijit; Das, Indrajit |
Journal of publication | Green Chemistry |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 19 |
Pages of publication | 7774 - 7781 |
a | 3.9964 ± 0.0003 Å |
b | 8.0048 ± 0.0005 Å |
c | 17.9743 ± 0.0012 Å |
α | 90.426 ± 0.002° |
β | 90.934 ± 0.002° |
γ | 98.213 ± 0.002° |
Cell volume | 569 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7247249.html
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structural data.