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CIF Information Card
Information card for 7052599
7052598 << 7052599 >> 7052600Preview
|
Coordinates |
7052599.cif |
Structure parameters
| Formula | - C32 H26 N8 O2 - |
| Calculated formula | - C32 H26 N8 O2 - |
| Title of publication | Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions |
| Authors of publication | Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 794 |
| a | 15.039 ± 0.007 Å |
| b | 12.809 ± 0.006 Å |
| c | 14.218 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2739 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P n a 21 |
| Hall symmetry space group | P 2c -2n |
| Residual factor for all reflections | 0.069 |
| Residual factor for observed reflections | 0.0496 |
| Weighted residual factors for the observed reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for observed reflections | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |