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Information card for entry 2239425
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| Coordinates | 2239425.cif |
|---|---|
| Structure factors | 2239425.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate |
|---|---|
| Formula | C17 H17 N O2 |
| Calculated formula | C17 H17 N O2 |
| SMILES | CCOC(=O)c1ccc2c(c1C)c1ccccc1n2C |
| Title of publication | Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate |
| Authors of publication | Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o240 |
| a | 14.5228 ± 0.0005 Å |
| b | 12.4663 ± 0.0004 Å |
| c | 15.2354 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2758.3 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239425.cif 2239425.hkl |
| 181894 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239425.cif 2239425.hkl |
| 181313 | 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 2/23/94. |
2239425.cif 2239425.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. |
2239425.cif 2239425.hkl |
| 110708 | 2014-04-19 | cif/ hkl/ Adding structures of 2239425 via cif-deposit CGI script. |
2239425.cif 2239425.hkl |
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Users of the data should acknowledge the original authors of the
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