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Information card for entry 2312049
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| Coordinates | 2312049.cif |
|---|---|
| Structure factors | 2312049.hkl |
| Original IUCr paper | HTML |
| Common name | {2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-4-chlorostyryl]quinolin-3-yl}(phenyl)methanone |
|---|---|
| Chemical name | {2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(4-chlorophenyl)ethenyl]quinolin-3-yl}(phenyl)methanone |
| Formula | C32 H21 Br Cl N O |
| Calculated formula | C32 H21 Br Cl N O |
| SMILES | n1c(c(c(c2ccccc12)/C=C/c1ccc(Cl)cc1)C(=O)c1ccccc1)/C=C/c1ccc(Br)cc1 |
| Title of publication | Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples. |
| Authors of publication | Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 94 - 103 |
| a | 9.9051 ± 0.0012 Å |
| b | 11.3936 ± 0.0016 Å |
| c | 11.8192 ± 0.0016 Å |
| α | 77.727 ± 0.005° |
| β | 76.116 ± 0.005° |
| γ | 86.448 ± 0.005° |
| Cell volume | 1265.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282416 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312046, 2312047, 2312048, 2312049, 2312050 via cif-deposit CGI script. |
2312049.cif 2312049.hkl |
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