Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158026
Preview
Coordinates | 7158026.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H49 N4 O9 |
---|---|
Calculated formula | C34 H49 N4 O9 |
Title of publication | An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation. |
Authors of publication | Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 4359 - 4363 |
a | 17.858 ± 0.003 Å |
b | 7.985 ± 0.002 Å |
c | 24.624 ± 0.006 Å |
α | 90° |
β | 92.493 ± 0.018° |
γ | 90° |
Cell volume | 3508 ± 1.4 Å3 |
Cell temperature | 200 ± 140 K |
Ambient diffraction temperature | 200 ± 140 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2419 |
Residual factor for significantly intense reflections | 0.1929 |
Weighted residual factors for significantly intense reflections | 0.5026 |
Weighted residual factors for all reflections included in the refinement | 0.5656 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.084 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7158026.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.