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Information card for entry 1557178
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| Coordinates | 1557178.cif |
|---|---|
| Structure factors | 1557178.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C18 H17 F O5 |
| Calculated formula | C18 H17 F O5 |
| Title of publication | (<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one |
| Authors of publication | Yoo, Miri; Koh, Dongsoo |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | x200071 |
| a | 15.5801 ± 0.0012 Å |
| b | 8.3414 ± 0.0006 Å |
| c | 12.1298 ± 0.0008 Å |
| α | 90° |
| β | 97.086 ± 0.003° |
| γ | 90° |
| Cell volume | 1564.35 ± 0.19 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247341 (current) | 2020-01-29 | cif/ hkl/ Adding structures of 1557178 via cif-deposit CGI script. |
1557178.cif 1557178.hkl |
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