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Information card for entry 1555278
Preview
Coordinates | 1555278.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt |
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Chemical name | Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt |
Formula | C39 H70 N8 O15 |
Calculated formula | C39 H70 N8 O15 |
SMILES | O(C(C)(C)C)C(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)OCC)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)C(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 | 9.319 ± 0.004 Å |
b | 23.446 ± 0.01 Å |
c | 11.396 ± 0.005 Å |
α | 90° |
β | 108.442 ± 0.007° |
γ | 90° |
Cell volume | 2362.1 ± 1.8 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 | 0.0531 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/1555278.html
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Users of the data should acknowledge the original authors of the
structural data.