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Information card for entry 4105327
Preview
Coordinates | 4105327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H86 N6 O11 |
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Calculated formula | C51 H86 N6 O11 |
SMILES | O(C(C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)OCc1ccccc1.O.O |
Title of publication | Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure |
Authors of publication | Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 16018 - 16020 |
a | 14.5595 ± 0.0015 Å |
b | 12.4587 ± 0.0013 Å |
c | 15.6241 ± 0.0017 Å |
α | 90° |
β | 97.105 ± 0.003° |
γ | 90° |
Cell volume | 2812.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0445 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | Cu-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105327.html
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Users of the data should acknowledge the original authors of the
structural data.