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Information card for entry 7052625
Preview
| Coordinates | 7052625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-Phenylamino-5,8-diethylamino-tri-s-triazin |
|---|---|
| Chemical name | 1-Phenylamino-5,8-diethylamino-tri-s-triazin |
| Formula | C57 H75 N25 O10 |
| Calculated formula | C57 H75 N25 O10 |
| SMILES | n1c(nc2nc(nc3nc(nc1n23)N(CC)CC)N(CC)CC)N(c1ccccc1)c1ccccc1.n1c(nc2nc(nc3nc(nc1n23)N(CC)CC)N(CC)CC)N(c1ccccc1)c1ccccc1.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C |
| Title of publication | A series of aryl-/alkyl-substituted melems |
| Authors of publication | Schwarzer, Anke; Kroke, Edwin |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 953 |
| a | 12.553 ± 0.0009 Å |
| b | 15.4588 ± 0.0011 Å |
| c | 18.053 ± 0.0015 Å |
| α | 83.008 ± 0.004° |
| β | 80.797 ± 0.004° |
| γ | 67.012 ± 0.004° |
| Cell volume | 3176.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2224 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052625.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052625.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052625.cif |
| 21242 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7052623, 7052624, 7052625, 7052626 via cif-deposit CGI script. |
7052625.cif |
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