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Information card for entry 1555277
Preview
Coordinates | 1555277.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-gVNM-gVNM-gVNM-OEt |
---|---|
Chemical name | Boc-gVNM-gVNM-gVNM-OEt |
Formula | C32.33333 H57.66667 N6 O12.66667 |
Calculated formula | C32.3333 H57.6667 N6 O12.6667 |
SMILES | O=C(N[C@H]([C@@H](CN(=O)=O)CC(=O)N[C@H]([C@H](CC(=O)OCC)CN(=O)=O)C(C)C)C(C)C)C[C@@H]([C@H](C(C)C)NC(=O)OC(C)(C)C)CN(=O)=O.C(OC(=O)C)C |
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 | 15.4725 ± 0.0013 Å |
b | 16.0538 ± 0.0014 Å |
c | 16.749 ± 0.003 Å |
α | 107.8 ± 0.002° |
β | 106.461 ± 0.002° |
γ | 106.157 ± 0.002° |
Cell volume | 3482.3 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1225 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1875 |
Weighted residual factors for all reflections included in the refinement | 0.2276 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.699 |
Diffraction radiation probe | x-ray |
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/1555277.html
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Users of the data should acknowledge the original authors of the
structural data.