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Information card for entry 7151169
Preview
| Coordinates | 7151169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 N8 O8 |
|---|---|
| Calculated formula | C44 H56 N8 O8 |
| SMILES | C1CN(CCN(CCN(CCN1CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1 |
| Title of publication | Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles. |
| Authors of publication | Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 3651 - 3656 |
| a | 11.0274 ± 0.0005 Å |
| b | 8.9869 ± 0.0005 Å |
| c | 21.255 ± 0.0008 Å |
| α | 90° |
| β | 91.304 ± 0.003° |
| γ | 90° |
| Cell volume | 2105.87 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1194 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180297 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/11. |
7151169.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151169.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151169.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151169.cif |
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Users of the data should acknowledge the original authors of the
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