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Information card for entry 2311288
Preview
| Coordinates | 2311288.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
|---|---|
| Formula | C21 H21 N O5 |
| Calculated formula | C21 H21 N O5 |
| Title of publication | Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate. |
| Authors of publication | Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | Pt 7 |
| Pages of publication | o514 - 5 |
| a | 8.3444 ± 0.0003 Å |
| b | 9.3508 ± 0.0004 Å |
| c | 12.2723 ± 0.0005 Å |
| α | 104.079 ± 0.002° |
| β | 97.282 ± 0.002° |
| γ | 93.904 ± 0.002° |
| Cell volume | 916.43 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311288.cif |
| 245761 | 2019-12-25 | cif/ Adding structures of 2311288 via cif-deposit CGI script. |
2311288.cif |
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Users of the data should acknowledge the original authors of the
structural data.