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Information card for entry 4110544
Preview
Coordinates | 4110544.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H72 Cl6 N6 O9 |
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Calculated formula | C56 H72 Cl6 N6 O9 |
SMILES | O(C(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns |
Authors of publication | Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 4538 - 4539 |
a | 21.321 ± 0.003 Å |
b | 21.321 ± 0.003 Å |
c | 23.846 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 9388 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 170 |
Hermann-Mauguin space group symbol | P 65 |
Hall space group symbol | P 65 |
Residual factor for all reflections | 0.1928 |
Residual factor for significantly intense reflections | 0.1581 |
Weighted residual factors for significantly intense reflections | 0.374 |
Weighted residual factors for all reflections included in the refinement | 0.3981 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.389 |
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/4110544.html
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Users of the data should acknowledge the original authors of the
structural data.