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Information card for entry 2237956
Preview
| Coordinates | 2237956.cif |
|---|---|
| Structure factors | 2237956.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol |
|---|---|
| Formula | C23 H27 Cl N2 O |
| Calculated formula | C23 H27 Cl N2 O |
| SMILES | Clc1ccc(cc1)/N=C/c1cc2c3c(c1O)C(C)(C)CCN3CCC2(C)C |
| Title of publication | 8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol |
| Authors of publication | Kantar, Esen Nur; Köysal, Yavuz; Akdemir, Nesuhi; Ağar, Ayşen Alaman; Soylu, Mustafa Serkan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o883 |
| a | 6.4716 ± 0.0003 Å |
| b | 9.8468 ± 0.0006 Å |
| c | 16.9206 ± 0.0007 Å |
| α | 75.438 ± 0.004° |
| β | 80.307 ± 0.004° |
| γ | 75.863 ± 0.004° |
| Cell volume | 1005.42 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0696 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2237956.cif 2237956.hkl |
| 181301 | 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 2/23/79. |
2237956.cif 2237956.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. |
2237956.cif 2237956.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237956.cif 2237956.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237956.cif 2237956.hkl |
| 86644 | 2013-07-11 | cif/ Adding structures of 2237956 via cif-deposit CGI script. |
2237956.cif |
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Users of the data should acknowledge the original authors of the
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