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Information card for entry 4107798
Preview
Coordinates | 4107798.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H76 N8 O11 |
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Calculated formula | C50 H76 N8 O11 |
SMILES | O(C(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccccc1 |
Title of publication | Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation |
Authors of publication | Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6544 - 6550 |
a | 10.5904 ± 0.0011 Å |
b | 19.448 ± 0.002 Å |
c | 27.721 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5709.5 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0623 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107798.html
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Users of the data should acknowledge the original authors of the
structural data.