Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238533
Preview
| Coordinates | 2238533.cif |
|---|---|
| Structure factors | 2238533.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate |
|---|---|
| Formula | C31 H26 Cl2 N2 O2 |
| Calculated formula | C31 H26 Cl2 N2 O2 |
| Title of publication | (2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol 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 | 9 |
| Pages of publication | o1414 - o1415 |
| a | 9.1621 ± 0.0003 Å |
| b | 11.3598 ± 0.0004 Å |
| c | 13.1879 ± 0.0005 Å |
| α | 74.017 ± 0.003° |
| β | 85.995 ± 0.003° |
| γ | 77.683 ± 0.003° |
| Cell volume | 1289.07 ± 0.08 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (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 2/23/85. |
2238533.cif 2238533.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. |
2238533.cif 2238533.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238533.cif 2238533.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238533.cif 2238533.hkl |
| 88672 | 2013-10-02 | cif/ Adding structures of 2238533 via cif-deposit CGI script. |
2238533.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.