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Information card for entry 2241275
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| Coordinates | 2241275.cif |
|---|---|
| Structure factors | 2241275.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-{2-[(1<i>Z</i>)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate |
|---|---|
| Formula | C19 H17 N O7 |
| Calculated formula | C19 H17 N O7 |
| Title of publication | Crystal structure of ethyl 2-{2-[(1<i>Z</i>)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o917 - o918 |
| a | 4.7818 ± 0.001 Å |
| b | 16.26 ± 0.003 Å |
| c | 21.948 ± 0.005 Å |
| α | 90° |
| β | 95.933 ± 0.003° |
| γ | 90° |
| Cell volume | 1697.4 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1769 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241275.cif 2241275.hkl |
| 170161 | 2015-11-07 | cif/ hkl/ Adding structures of 2241275 via cif-deposit CGI script. |
2241275.cif 2241275.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.