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CIF Information Card
Information card for 7101746
7101745 << 7101746 >> 7101747Preview
|
Coordinates |
7101746.cif |
Structure parameters
| Formula | - C34 H51 N3 - |
| Calculated formula | - C34 H51 N3 - |
| Title of publication | Free-base tripyrrins. |
| Authors of publication | Bröring, Martin; Prikhodovski, Serguei; Tejero, Esther Cónsul |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 876 - 877 |
| a | 11.1869 ± 0.0009 Å |
| b | 24.34 ± 0.002 Å |
| c | 11.6741 ± 0.0011 Å |
| α | 90° |
| β | 93.714 ± 0.01° |
| γ | 90° |
| Cell volume | 3172.1 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1263 |
| Residual factor for observed reflections | 0.0377 |
| Weighted residual factors for the observed reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for observed reflections | 0.69 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |