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Information card for entry 4125338
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4125338.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H45 N5 O7 |
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Calculated formula | C26 H45 N5 O7 |
SMILES | O(C)C(=O)[C@@H](NC(=O)C1(NC(=O)[C@@H]2N(CCC2)C(=O)[C@@H](NC(=O)OC(C)(C)C)CN(C)C)CC1)CC(C)C |
Title of publication | Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. |
Authors of publication | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 492 - 516 |
a | 11.9119 ± 0.0013 Å |
b | 15.619 ± 0.0017 Å |
c | 16.4598 ± 0.0017 Å |
α | 86.532 ± 0.002° |
β | 89.527 ± 0.002° |
γ | 88.976 ± 0.002° |
Cell volume | 3056.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.081 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1115 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | Synchrotron |
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/4125338.html
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Users of the data should acknowledge the original authors of the
structural data.