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CIF Information Card
Information card for 7151809
7151808 << 7151809 >> 7151810Preview
|
Coordinates |
7151809.cif |
Structure parameters
| Common name | methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate |
| Formula | - C20 H30 N2 O5 - |
| Calculated formula | - C20 H30 N2 O5 - |
| Title of publication | An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight. |
| Authors of publication | Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3787 - 3791 |
| a | 5.1057 ± 0.0005 Å |
| b | 10.2051 ± 0.0012 Å |
| c | 40.956 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2134 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0694 |
| Residual factor for observed reflections | 0.0453 |
| Weighted residual factors for the observed reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for observed reflections | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |