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Information card for entry 7062964
Preview
Coordinates | 7062964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H12 N2 O3 |
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Calculated formula | C17 H12 N2 O3 |
SMILES | O=C1Oc2c(/C1=C\1Nc3ccccc3N(C1=O)C)cccc2 |
Title of publication | K2S2O8-mediated direct C–H functionalization to synthesize quinoxalin-2(1H)-one derivatives in water |
Authors of publication | Qin, Hui; Wei, Guo-Liang; Zheng, Xiao-Wei; Bao, Mei-Hua; Zhang, Yi-Wen; Huang, Ping |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
Journal volume | 48 |
Journal issue | 7 |
Pages of publication | 2945 - 2949 |
a | 4.7263 ± 0.0017 Å |
b | 15.85 ± 0.006 Å |
c | 17.689 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1325.1 ± 0.9 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1231 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1488 |
Weighted residual factors for all reflections included in the refinement | 0.2033 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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