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Information card for entry 7161021
Preview
| Coordinates | 7161021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ram_n_25_r3_a |
|---|---|
| Formula | C21 H21 N3 O5 |
| Calculated formula | C21 H21 N3 O5 |
| Title of publication | C(3)-H alkenylation of quinoxalin-2(1<i>H</i>)-ones with Hantzsch esters and <i>in silico</i> studies. |
| Authors of publication | Kumar, Saurabh; Pathak, Amit Kumar; Newar, Uma Devi; Nayak, Abhimanyu; Bora, Monjuri; Sarmah, Hrishikesh; Ghosh, Subrata; Maurya, Ram Awatar |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2026 |
| Journal volume | 24 |
| Journal issue | 4 |
| Pages of publication | 921 - 933 |
| a | 9.3689 ± 0.0004 Å |
| b | 20.2488 ± 0.0011 Å |
| c | 19.9947 ± 0.0009 Å |
| α | 90° |
| β | 90.219 ± 0.002° |
| γ | 90° |
| Cell volume | 3793.1 ± 0.3 Å3 |
| Cell temperature | 304 ± 2 K |
| Ambient diffraction temperature | 304 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7161021.html
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Users of the data should acknowledge the original authors of the
structural data.