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Information card for entry 1549721
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| Coordinates | 1549721.cif |
|---|---|
| Structure factors | 1549721.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate |
|---|---|
| Formula | C19 H16 O5 |
| Calculated formula | C19 H16 O5 |
| SMILES | o1c2ccccc2c(=O)cc1c1ccccc1OCC(=O)OCC |
| Title of publication | Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate |
| Authors of publication | Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | x180993 |
| a | 4.6852 ± 0.0001 Å |
| b | 17.5786 ± 0.0005 Å |
| c | 18.8573 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1553.07 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209239 (current) | 2018-07-24 | cif/ hkl/ Adding structures of 1549721 via cif-deposit CGI script. |
1549721.cif 1549721.hkl |
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