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Information card for entry 1555280
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Coordinates | 1555280.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-(UgFNM)2-NHMe |
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Chemical name | Boc-(UgFNM)2-NHMe |
Formula | C44 H71 N7 O12 |
Calculated formula | C44 H71 N7 O12 |
SMILES | OC(C)C.O(C(C)(C)C)C(=O)NC(C(=O)N[C@H]([C@H](CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(=O)=O)CC(=O)NC)(C)C)CN(=O)=O)Cc1ccccc1)(C)C.CC(C)O |
Title of publication | γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization. |
Authors of publication | Ganesh Kumar, Mothukuri; Gopi, Hosahudya N. |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 19 |
Pages of publication | 4738 - 4741 |
a | 27.637 ± 0.018 Å |
b | 27.637 ± 0.018 Å |
c | 11.845 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7835 ± 9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.2669 |
Residual factor for significantly intense reflections | 0.1189 |
Weighted residual factors for significantly intense reflections | 0.2095 |
Weighted residual factors for all reflections included in the refinement | 0.2638 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
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/1555280.html
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Users of the data should acknowledge the original authors of the
structural data.