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Information card for entry 2239542
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| Coordinates | 2239542.cif |
|---|---|
| Structure factors | 2239542.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate |
|---|---|
| Formula | C24 H18 Cl2 N2 O5 |
| Calculated formula | C24 H18 Cl2 N2 O5 |
| SMILES | CCOC(=O)c1cn(c2c(cnc3c2ccc(c3)Cl)C(=O)OCC)c2c(c1=O)ccc(c2)Cl |
| Title of publication | Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate |
| Authors of publication | Ishikawa, Yoshinobu; Sugisawa, Yasuhiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o655 |
| a | 7.631 ± 0.004 Å |
| b | 12.416 ± 0.005 Å |
| c | 12.461 ± 0.005 Å |
| α | 107.99 ± 0.03° |
| β | 101.08 ± 0.03° |
| γ | 94.77 ± 0.03° |
| Cell volume | 1089.1 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.1863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239542.cif 2239542.hkl |
| 181314 | 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 2/23/95. |
2239542.cif 2239542.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. |
2239542.cif 2239542.hkl |
| 113310 | 2014-05-10 | cif/ hkl/ Adding structures of 2239542 via cif-deposit CGI script. |
2239542.cif 2239542.hkl |
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Users of the data should acknowledge the original authors of the
structural data.