Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514736
Preview
Coordinates | 4514736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H37 N3 O4 Si |
---|---|
Calculated formula | C22 H37 N3 O4 Si |
SMILES | [Si](C[C@H]([C@H](NC(=O)c1ncccc1)C(=O)N[C@H](C(=O)OC)C(C)(C)C)CC)(C)(C)C |
Title of publication | Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation |
Authors of publication | Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 3298 |
a | 9.1154 ± 0.0003 Å |
b | 9.7854 ± 0.0003 Å |
c | 14.6304 ± 0.0005 Å |
α | 90° |
β | 96.443 ± 0.004° |
γ | 90° |
Cell volume | 1296.76 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1367 |
Weighted residual factors for all reflections included in the refinement | 0.1478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4514736.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.