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Information card for entry 2238485
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| Coordinates | 2238485.cif |
|---|---|
| Structure factors | 2238485.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate |
|---|---|
| Formula | C14 H14 I N O4 |
| Calculated formula | C14 H14 I N O4 |
| SMILES | Ic1cc2C(=CC(Nc2cc1)(C)C(=O)OC)C(=O)OC |
| Title of publication | Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate |
| Authors of publication | Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1476 |
| a | 7.7994 ± 0.0014 Å |
| b | 10.2797 ± 0.0008 Å |
| c | 10.8056 ± 0.0008 Å |
| α | 116.862 ± 0.003° |
| β | 103.956 ± 0.004° |
| γ | 96.78 ± 0.004° |
| Cell volume | 723.8 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.239 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 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 2/23/84. |
2238485.cif 2238485.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. |
2238485.cif 2238485.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238485.cif 2238485.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238485.cif 2238485.hkl |
| 88620 | 2013-10-02 | cif/ Adding structures of 2238485 via cif-deposit CGI script. |
2238485.cif |
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Users of the data should acknowledge the original authors of the
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