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Information card for entry 2238475
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| Coordinates | 2238475.cif |
|---|---|
| Structure factors | 2238475.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate |
|---|---|
| Formula | C19 H16 N2 O5 S |
| Calculated formula | C19 H16 N2 O5 S |
| SMILES | CCOC(=O)C1=C(N)Oc2c(C1c1scnc1C)c(=O)oc1c2cccc1 |
| Title of publication | Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate |
| Authors of publication | Karthikeyan, V.; Ramkumar, V.; Karunakaran, R. Joel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1411 - o1412 |
| a | 15.6232 ± 0.001 Å |
| b | 15.0696 ± 0.0009 Å |
| c | 15.9063 ± 0.0011 Å |
| α | 90° |
| β | 98.873 ± 0.002° |
| γ | 90° |
| Cell volume | 3700.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
2238475.cif 2238475.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. |
2238475.cif 2238475.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238475.cif 2238475.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238475.cif 2238475.hkl |
| 88595 | 2013-10-02 | cif/ Adding structures of 2238475 via cif-deposit CGI script. |
2238475.cif |
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Users of the data should acknowledge the original authors of the
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