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Information card for entry 1544694
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| Coordinates | 1544694.cif |
|---|---|
| Structure factors | 1544694.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate |
|---|---|
| Formula | C22 H18 N2 O3 S |
| Calculated formula | C22 H18 N2 O3 S |
| Title of publication | Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate |
| Authors of publication | Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 11 |
| Pages of publication | x161884 |
| a | 11.5227 ± 0.0001 Å |
| b | 25.5293 ± 0.0003 Å |
| c | 12.4749 ± 0.0001 Å |
| α | 90° |
| β | 90.038 ± 0.001° |
| γ | 90° |
| Cell volume | 3669.7 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188756 (current) | 2016-11-30 | cif/ hkl/ Adding structures of 1544694 via cif-deposit CGI script. |
1544694.cif 1544694.hkl |
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Users of the data should acknowledge the original authors of the
structural data.