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Information card for entry 2239015
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| Coordinates | 2239015.cif |
|---|---|
| Structure factors | 2239015.hkl |
| Original IUCr paper | HTML |
| Common name | 2,5-dimethylphenyl quinoline-2-carboxylate |
|---|---|
| Chemical name | 2,5-Dimethylphenyl quinoline-2-carboxylate |
| Formula | C18 H15 N O2 |
| Calculated formula | C18 H15 N O2 |
| SMILES | Cc1ccc(c(c1)OC(=O)c1ccc2c(n1)cccc2)C |
| Title of publication | 2,5-Dimethylphenyl quinoline-2-carboxylate |
| Authors of publication | Fazal, E.; Kaur, Manpreet; Jasinski, Jerry P.; Nagarajan, S.; Sudha, B. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o147 |
| a | 8.2261 ± 0.0003 Å |
| b | 11.6007 ± 0.0005 Å |
| c | 14.5738 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1390.76 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
2239015.cif 2239015.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. |
2239015.cif 2239015.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. |
2239015.cif 2239015.hkl |
| 104847 | 2014-03-11 | cif/ hkl/ Adding structures of 2239015 via cif-deposit CGI script. |
2239015.cif 2239015.hkl |
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