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CIF Information Card
Information card for 7107680
7107679 << 7107680 >> 7107681Preview
|
Coordinates |
7107680.cif |
Structure parameters
| Common name | 5,10,15,20-tetraphenyl-meso-anthriporphyrin |
| Chemical name | 5,10,15,20-tetraphenyl-meso-anthriporphyrin |
| Formula | - C54.5 H36 Cl N3 - |
| Calculated formula | - C54 H35 N3 - |
| Title of publication | Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin |
| Authors of publication | Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 5004 |
| a | 9.779 ± 0.003 Å |
| b | 13.499 ± 0.006 Å |
| c | 16.963 ± 0.006 Å |
| α | 92.09 ± 0.03° |
| β | 101.98 ± 0.04° |
| γ | 106.41 ± 0.04° |
| Cell volume | 2090.4 ± 1.5 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 | 0.1838 |
| Residual factor for observed reflections | 0.0764 |
| Weighted residual factors for the observed reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for observed reflections | 0.774 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |