Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555279
Preview
Coordinates | 1555279.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-UgFNMUgFNHMe |
---|---|
Chemical name | Boc-UgFNMUgFNHMe |
Formula | C37 H54 N6 O8 |
Calculated formula | C37 H54 N6 O8 |
SMILES | O=C(N[C@H]([C@H](CC(=O)NC(C(=O)N[C@H](CCC(=O)NC)Cc1ccccc1)(C)C)CN(=O)=O)Cc1ccccc1)C(NC(=O)OC(C)(C)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 | 11.813 ± 0.003 Å |
b | 9.272 ± 0.002 Å |
c | 19.747 ± 0.004 Å |
α | 90° |
β | 104.524 ± 0.005° |
γ | 90° |
Cell volume | 2093.8 ± 0.8 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 | 0.0877 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.758 |
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/1555279.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.