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Information card for entry 2239032
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| Coordinates | 2239032.cif |
|---|---|
| Structure factors | 2239032.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-Methoxy-2-phenylquinoline-3-carbaldehyde |
|---|---|
| Formula | C17 H13 N O2 |
| Calculated formula | C17 H13 N O2 |
| SMILES | O=Cc1cc2ccc(cc2nc1c1ccccc1)OC |
| Title of publication | 7-Methoxy-2-phenylquinoline-3-carbaldehyde |
| Authors of publication | Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o195 - o196 |
| a | 7.332 ± 0.003 Å |
| b | 7.582 ± 0.002 Å |
| c | 12.487 ± 0.004 Å |
| α | 73.424 ± 0.012° |
| β | 85.877 ± 0.012° |
| γ | 83.029 ± 0.011° |
| Cell volume | 659.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239032.cif 2239032.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239032.cif 2239032.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239032.cif 2239032.hkl |
| 104868 | 2014-03-11 | cif/ hkl/ Adding structures of 2239032 via cif-deposit CGI script. |
2239032.cif 2239032.hkl |
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Users of the data should acknowledge the original authors of the
structural data.