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CIF Information Card
Information card for 7151825
7151824 << 7151825 >> 7151826Preview
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Coordinates |
7151825.cif |
Structure parameters
| Chemical name | Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe |
| Formula | - C49.5 H83 N6 O14 - |
| Calculated formula | - C49.5 H83 N6 O14 - |
| Title of publication | Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. |
| Authors of publication | Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3303 - 3312 |
| a | 12.9034 ± 0.0012 Å |
| b | 14.8243 ± 0.0013 Å |
| c | 16.6694 ± 0.0015 Å |
| α | 104.879 ± 0.001° |
| β | 93.483 ± 0.002° |
| γ | 112.918 ± 0.001° |
| Cell volume | 2791.8 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0574 |
| Residual factor for observed reflections | 0.0522 |
| Weighted residual factors for the observed reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for observed reflections | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |