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Information card for entry 4028832
Preview
Coordinates | 4028832.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Boc-(Leu-Aib-D-Leu)4-OMe.CH3OH |
---|---|
Formula | C71 H132 N12 O16 |
Calculated formula | C71 H132 N12 O16 |
SMILES | OC.C(C)(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](CC(C)C)C(=O)OC |
Title of publication | Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense |
Authors of publication | Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12106 - 12113 |
a | 10.767 ± 0.0012 Å |
b | 20.452 ± 0.002 Å |
c | 39.305 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8655.2 ± 1.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0748 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.2131 |
Weighted residual factors for all reflections included in the refinement | 0.215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028832.html
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Users of the data should acknowledge the original authors of the
structural data.