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Information card for entry 8105120
Preview
| Coordinates | 8105120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-oxo-2H-chromen-4-yl acetate |
|---|---|
| Formula | C11 H8 O4 |
| Calculated formula | C11 H8 O4 |
| Title of publication | The crystal structure of 2-oxo-2H-chromen-4-yl acetate, C11H8O4 |
| Authors of publication | Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.; Watkins, Gareth M.; Krause, Rui W. M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 397 - 398 |
| a | 4.5947 ± 0.0002 Å |
| b | 10.5414 ± 0.0003 Å |
| c | 19.1611 ± 0.0007 Å |
| α | 90° |
| β | 94.084 ± 0.002° |
| γ | 90° |
| Cell volume | 925.7 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274850 (current) | 2022-05-03 | cif/ Adding structures of 8105120 via cif-deposit CGI script. |
8105120.cif |
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Users of the data should acknowledge the original authors of the
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