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CIF Information Card
Information card for 7052598
7052597 << 7052598 >> 7052599Preview
|
Coordinates |
7052598.cif |
Structure parameters
| Formula | - C24 H25.4 N6 O2.7 - |
| Calculated formula | - C24 H24 N6 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 | 7.6457 ± 0.0016 Å |
| b | 9.891 ± 0.002 Å |
| c | 15.431 ± 0.003 Å |
| α | 97.881 ± 0.003° |
| β | 101.751 ± 0.003° |
| γ | 93.578 ± 0.003° |
| Cell volume | 1126.8 ± 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 | 0.0611 |
| Residual factor for observed reflections | 0.051 |
| Weighted residual factors for the observed reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for observed reflections | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |