Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7052625
7052624 << 7052625 >> 7052626Preview
|
Coordinates |
7052625.cif |
Structure parameters
| 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 - |
| 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 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.2224 |
| Residual factor for observed reflections | 0.069 |
| Weighted residual factors for the observed reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for observed reflections | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |