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Information card for entry 7233577
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| Coordinates | 7233577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diethyl terephthalate |
|---|---|
| Formula | C12 H14 O4 |
| Calculated formula | C12 H14 O4 |
| Title of publication | Sustainable Room Temperature Conversion of p-Xylene to Terephthalic Acid using Ozone and UV Irradiation |
| Authors of publication | Hwang, Kuo Chu; Sagadevan, Arunachalam; Kundu, Pradip |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| a | 4.206 ± 0.002 Å |
| b | 15.399 ± 0.009 Å |
| c | 9.109 ± 0.005 Å |
| α | 90° |
| β | 92.854 ± 0.01° |
| γ | 90° |
| Cell volume | 589.2 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1046 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217859 (current) | 2019-08-30 | cif/ Adding structures of 7233576, 7233577 via cif-deposit CGI script. |
7233577.cif |
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