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Information card for entry 2023144
Preview
| Coordinates | 2023144.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[(2-oxo-2<i>H</i>-chromen-6-yl)oxy]acetate |
|---|---|
| Formula | C13 H12 O5 |
| Calculated formula | C13 H12 O5 |
| Title of publication | Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate |
| Authors of publication | Goyal, Navneet; Donahue, James P.; Thompson, Anthony; Zhang, Xiaodong; Mague, Joel T.; Foroozesh, Maryam |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 659 - 662 |
| a | 8.2188 ± 0.0004 Å |
| b | 13.8709 ± 0.0007 Å |
| c | 20.837 ± 0.0011 Å |
| α | 90° |
| β | 96.062 ± 0.002° |
| γ | 90° |
| Cell volume | 2362.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292156 (current) | 2024-06-01 | cif/ Adding structures of 2023144 via cif-deposit CGI script. |
2023144.cif |
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