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Information card for entry 1551567
Preview
| Coordinates | 1551567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-bis[N,N-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane |
|---|---|
| Formula | C28 H26 N8 O4 |
| Calculated formula | C28 H26 N8 O4 |
| SMILES | c1(cccc(C(=O)NCc2cnccc2)n1)C(=O)NCCNC(=O)c1cccc(C(=O)NCc2cnccc2)n1 |
| Title of publication | Crystal Structure of 1,2-Bis[<i>N,N</i>′-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane |
| Authors of publication | KADIR, Maisara Abdul; YUSOF, M. Sukeri M.; SUMBY, C. J. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 31 |
| a | 13.669 ± 0.006 Å |
| b | 17.763 ± 0.007 Å |
| c | 11.013 ± 0.004 Å |
| α | 90° |
| β | 108.857 ± 0.016° |
| γ | 90° |
| Cell volume | 2530.5 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216177 (current) | 2019-06-20 | cif/ Adding structures of 1551567 via cif-deposit CGI script. |
1551567.cif |
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Users of the data should acknowledge the original authors of the
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