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Information card for entry 2238367
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| Coordinates | 2238367.cif |
|---|---|
| Structure factors | 2238367.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone monosolvate |
|---|---|
| Formula | C32 H27 Cl N2 O3 |
| Calculated formula | C32 H27 Cl N2 O3 |
| SMILES | CC(=O)C.COc1nc2ccc(cc2cc1/C=C/C(=O)c1c(C)nc2c(c1c1ccccc1)cccc2)Cl |
| Title of publication | (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone monosolvate |
| Authors of publication | Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1319 |
| a | 17.1714 ± 0.0003 Å |
| b | 10.7099 ± 0.0002 Å |
| c | 14.5248 ± 0.0002 Å |
| α | 90° |
| β | 100.021 ± 0.002° |
| γ | 90° |
| Cell volume | 2630.42 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (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 2/23/83. |
2238367.cif 2238367.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. |
2238367.cif 2238367.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238367.cif 2238367.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238367.cif 2238367.hkl |
| 88209 | 2013-09-04 | cif/ Adding structures of 2238367 via cif-deposit CGI script. |
2238367.cif |
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