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Information card for entry 7115493
Preview
Coordinates | 7115493.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H69 Cl3 F6 N6 O9 |
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Calculated formula | C49 H69 Cl3 F6 N6 O9 |
SMILES | FC(F)(F)[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)C(F)(F)F)CC(=O)N[C@@H]1[C@@H](C(=O)OCc2ccccc2)CCCC1.C(Cl)(Cl)Cl |
Title of publication | Stabilization of beta-peptide helices by direct attachment of trifluoromethyl groups to peptide backbones |
Authors of publication | Joonil Cho; Kyohei Sawaki; Shinya Hanashima; Yoshiki Yamaguchi; Motoo Shiro; Kazuhiko Saigo; Yasuhiro Ishida |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9855 |
a | 19.7038 ± 0.0004 Å |
b | 23.9063 ± 0.0004 Å |
c | 24.8954 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11726.9 ± 0.5 Å3 |
Cell temperature | 93.1 K |
Ambient diffraction temperature | 93.1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.3023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/7115493.html
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Users of the data should acknowledge the original authors of the
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