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Information card for entry 1544310
Preview
| Coordinates | 1544310.cif |
|---|---|
| Structure factors | 1544310.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline) |
|---|---|
| Formula | C28 H33 Cl N4 |
| Calculated formula | C28 H33 Cl N4 |
| SMILES | Clc1nc(cc(n1)/C=C/c1ccc(N(CC)CC)cc1)/C=C/c1ccc(N(CC)CC)cc1 |
| Title of publication | 4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline) |
| Authors of publication | Hu, Lei; Wang, Hui; Zhang, Qiong |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161590 |
| a | 11.791 ± 0.005 Å |
| b | 15.005 ± 0.005 Å |
| c | 14.711 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 92.716 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2599.8 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1714 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.2034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187410 (current) | 2016-10-19 | cif/ hkl/ Adding structures of 1544310 via cif-deposit CGI script. |
1544310.cif 1544310.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.