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Information card for entry 7211371
Preview
Coordinates | 7211371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H35 N3 O6 |
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Calculated formula | C27 H35 N3 O6 |
SMILES | O(C(C)(C)C)C(=O)N([C@@H](C(=O)NC(C)(C)C(=O)Nc1cccc(c1)C(=O)OC)Cc1ccccc1)C |
Title of publication | The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies |
Authors of publication | Konar, Anita Dutt |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 48 |
Pages of publication | 10569 |
a | 12.575 ± 0.004 Å |
b | 10.973 ± 0.003 Å |
c | 13.526 ± 0.005 Å |
α | 90° |
β | 105.577 ± 0.009° |
γ | 90° |
Cell volume | 1797.8 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1863 |
Residual factor for significantly intense reflections | 0.0993 |
Weighted residual factors for significantly intense reflections | 0.2502 |
Weighted residual factors for all reflections included in the refinement | 0.2947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7211371.html
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Users of the data should acknowledge the original authors of the
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