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CIF Information Card
Information card for 7052597
7052596 << 7052597 >> 7052598Preview
|
Coordinates |
7052597.cif |
Structure parameters
| Formula | - C45 H34 N10 O2 - |
| Calculated formula | - C45 H34 N10 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 | 11.751 ± 0.003 Å |
| b | 12.885 ± 0.003 Å |
| c | 13.632 ± 0.003 Å |
| α | 114.123 ± 0.003° |
| β | 100.136 ± 0.004° |
| γ | 97.33 ± 0.004° |
| Cell volume | 1808.1 ± 0.7 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 | 0.0889 |
| Residual factor for observed reflections | 0.0639 |
| Weighted residual factors for the observed reflections | 0.1693 |
| Weighted residual factors for all reflections included in the refinement | 0.1871 |
| Goodness-of-fit parameter for observed reflections | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |