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CIF Information Card
Information card for 7101627
7101626 << 7101627 >> 7101628Preview
|
Coordinates |
7101627.cif |
Structure parameters
| Formula | - C72 H60 N2 S4 Se2 - |
| Calculated formula | - C72 H60 N2 S4 Se2 - |
| Title of publication | Near IR absorbing planar aromatic [34]octaphyrins(1.1.0.1.1.0.0.0) containing a quaterthiophene subunit. |
| Authors of publication | Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K; Suresh, Eringathodi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 1 |
| Pages of publication | 43 - 45 |
| a | 20.276 ± 0.004 Å |
| b | 21.24 ± 0.004 Å |
| c | 21.313 ± 0.004 Å |
| α | 81.06 ± 0.03° |
| β | 62.88 ± 0.03° |
| γ | 66.62 ± 0.03° |
| Cell volume | 7495 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0978 |
| Residual factor for observed reflections | 0.0614 |
| Weighted residual factors for the observed reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for observed reflections | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |