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Information card for entry 1546720
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| Coordinates | 1546720.cif |
|---|---|
| Structure factors | 1546720.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
|---|---|
| Formula | C13 H13 N O3 |
| Calculated formula | C13 H13 N O3 |
| Title of publication | Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
| Authors of publication | Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | x170917 |
| a | 12.2269 ± 0.0004 Å |
| b | 6.7034 ± 0.0003 Å |
| c | 14.0817 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1154.16 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199316 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546720 via cif-deposit CGI script. |
1546720.cif 1546720.hkl |
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