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Information card for entry 1571764
Preview
| Coordinates | 1571764.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate |
|---|---|
| Formula | C15 H16 O4 |
| Calculated formula | C15 H16 O4 |
| Title of publication | 2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate |
| Authors of publication | Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 5 |
| a | 10.6769 ± 0.0003 Å |
| b | 17.9611 ± 0.0005 Å |
| c | 7.0266 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1347.48 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292162 (current) | 2024-06-01 | cif/ Adding structures of 1571764 via cif-deposit CGI script. |
1571764.cif |
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