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Information card for entry 8107362
Preview
| Coordinates | 8107362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 O3 |
|---|---|
| Calculated formula | C17 H12 O3 |
| SMILES | O=C(c1ccccc1)CC1Oc2ccccc2C(=O)C=1 |
| Title of publication | Synthesis and crystal structure of 2-(2-oxo-2-phenylethyl)-4H-chromen-4-one, C17H12O3 |
| Authors of publication | Liu, Feng; Liu, Yi; Chen, Yang; Yan, Xiaolong; Xiao, Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 95 - 96 |
| a | 9.2911 ± 0.0015 Å |
| b | 17.525 ± 0.003 Å |
| c | 8.5586 ± 0.0015 Å |
| α | 90° |
| β | 109.358 ± 0.007° |
| γ | 90° |
| Cell volume | 1314.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0799 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284467 (current) | 2023-06-15 | cif/ Adding structures of 8107362 via cif-deposit CGI script. |
8107362.cif |
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