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CIF Information Card
Information card for 4107280
4107279 << 4107280 >> 4107281Preview
|
Coordinates |
4107280.cif |
Structure parameters
| Formula | - C41 H74 F3 N9 O14 - |
| Calculated formula | - C27 H44 N9 O9 - |
| Title of publication | Hierarchical Self-Assembly of Aminopyrazole Peptides into Nanorosettes in Water |
| Authors of publication | Petra Rzepecki; Katrin Hochdörffer; Torsten Schaller; Jan Zienau; Klaus Harms; Christian Ochsenfeld; Xiulan Xie; Thomas Schrader |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 586 - 591 |
| a | 30.9179 ± 0.001 Å |
| b | 30.9179 ± 0.001 Å |
| c | 35.2839 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 29209.7 ± 1.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | R 3 2 :H |
| Hall symmetry space group | R 3 2" |
| Residual factor for all reflections | 0.0791 |
| Residual factor for observed reflections | 0.0434 |
| Weighted residual factors for the observed reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for observed reflections | 0.752 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |