Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233115
Preview
| Coordinates | 2233115.cif |
|---|---|
| Structure factors | 2233115.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]- 2,4-dimethylaniline |
|---|---|
| Formula | C20 H24 N2 |
| Calculated formula | C20 H24 N2 |
| SMILES | Cc1ccc(c(c1)C)/N=C(/C(=N/c1ccc(cc1C)C)C)C |
| Title of publication | (<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]-2,4-dimethylaniline |
| Authors of publication | Yuan, Jianchao; Miao, Chengping; Xu, Weibing; Yuan, Bingnian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o164 |
| a | 13.5 ± 0.01 Å |
| b | 7.571 ± 0.006 Å |
| c | 16.738 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1711 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.082 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181253 (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 2/23/31. |
2233115.cif 2233115.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. |
2233115.cif 2233115.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233115.cif 2233115.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233115.cif 2233115.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233115.cif 2233115.hkl |
| 32169 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233115 via cif-deposit CGI script. |
2233115.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.