Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125341
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4125341.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H50 N6 O6 |
---|---|
Calculated formula | C36 H50 N6 O6 |
Title of publication | Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. |
Authors of publication | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 492 - 516 |
a | 18.9459 ± 0.0013 Å |
b | 10.2874 ± 0.0007 Å |
c | 20.3541 ± 0.0014 Å |
α | 90° |
β | 114.654 ± 0.002° |
γ | 90° |
Cell volume | 3605.5 ± 0.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0375 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4125341.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.