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Information card for entry 1550080
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| Coordinates | 1550080.cif |
|---|---|
| Structure factors | 1550080.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate |
|---|---|
| Formula | C18 H19 N O7 |
| Calculated formula | C18 H19 N O7 |
| SMILES | O(c1nc2ccccc2c(c1)C(=O)OCC(=O)OCC)CC(=O)OCC |
| Title of publication | Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate |
| Authors of publication | Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | x181438 |
| a | 4.9417 ± 0.0002 Å |
| b | 7.6157 ± 0.0003 Å |
| c | 23.4472 ± 0.0009 Å |
| α | 94.49 ± 0.002° |
| β | 92.997 ± 0.002° |
| γ | 98.136 ± 0.002° |
| Cell volume | 869.06 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211572 (current) | 2018-10-20 | cif/ hkl/ Adding structures of 1550080 via cif-deposit CGI script. |
1550080.cif 1550080.hkl |
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Users of the data should acknowledge the original authors of the
structural data.