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Information card for entry 7158102
Preview
Coordinates | 7158102.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H24 Cl4 N4 O4 |
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Calculated formula | C34 H24 Cl4 N4 O4 |
Title of publication | Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400. |
Authors of publication | Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 25 |
Pages of publication | 5567 - 5571 |
a | 7.707 ± 0.0001 Å |
b | 17.6134 ± 0.0002 Å |
c | 22.5179 ± 0.0002 Å |
α | 90° |
β | 93.088 ± 0.001° |
γ | 90° |
Cell volume | 3052.29 ± 0.06 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 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 | 0.0355 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/7158102.html
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