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Information card for entry 1548890
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| Coordinates | 1548890.cif |
|---|---|
| Structure factors | 1548890.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
|---|---|
| Formula | C24 H23 N3 O2 |
| Calculated formula | C24 H23 N3 O2 |
| SMILES | O=C1C2=C(N(C(=C(C2c2ccc(OC)cc2)C#N)N)c2ccc(cc2)C)CCC1 |
| Title of publication | 2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Authors of publication | Tamam, Asmaa H. A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hussain, Faiq H. S. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | x180167 |
| a | 9.1066 ± 0.0004 Å |
| b | 19.6406 ± 0.0009 Å |
| c | 11.2901 ± 0.0005 Å |
| α | 90° |
| β | 94.343 ± 0.004° |
| γ | 90° |
| Cell volume | 2013.54 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206302 (current) | 2018-02-08 | cif/ hkl/ Adding structures of 1548890 via cif-deposit CGI script. |
1548890.cif 1548890.hkl |
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Users of the data should acknowledge the original authors of the
structural data.