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Information card for entry 2239316
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| Coordinates | 2239316.cif |
|---|---|
| Structure factors | 2239316.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Diethyl 4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate |
|---|---|
| Formula | C24 H20 N2 O5 |
| Calculated formula | C24 H20 N2 O5 |
| SMILES | CCOC(=O)c1cn(c2c(cnc3c2cccc3)C(=O)OCC)c2c(c1=O)cccc2 |
| Title of publication | Diethyl 4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate |
| Authors of publication | Ishikawa, Yoshinobu; Yoshida, Nanako |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o523 |
| a | 7.4478 ± 0.0016 Å |
| b | 11.284 ± 0.005 Å |
| c | 12.583 ± 0.005 Å |
| α | 107.78 ± 0.03° |
| β | 92.96 ± 0.03° |
| γ | 102.85 ± 0.03° |
| Cell volume | 973.6 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239316.cif 2239316.hkl |
| 181312 | 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 2/23/93. |
2239316.cif 2239316.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. |
2239316.cif 2239316.hkl |
| 109386 | 2014-04-11 | cif/ hkl/ Adding structures of 2239316 via cif-deposit CGI script. |
2239316.cif 2239316.hkl |
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Users of the data should acknowledge the original authors of the
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