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CIF Information Card
Information card for 7151826
7151825 << 7151826 >> 7151827Preview
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Coordinates |
7151826.cif |
Structure parameters
| Chemical name | Boc-(Leu-Leu-Acp)3-OMe |
| Formula | - C60.5 H109.5 N9 O13.75 - |
| Calculated formula | - C60.5 H109.5 N9 O13.75 - |
| 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 | 15.4487 ± 0.0014 Å |
| b | 44.175 ± 0.004 Å |
| c | 21.6774 ± 0.0019 Å |
| α | 90° |
| β | 96.234 ± 0.002° |
| γ | 90° |
| Cell volume | 14706 ± 2 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.1191 |
| Residual factor for observed reflections | 0.0962 |
| Weighted residual factors for the observed reflections | 0.2635 |
| Weighted residual factors for all reflections included in the refinement | 0.2857 |
| Goodness-of-fit parameter for observed reflections | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |