Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129035
Preview
Coordinates | 4129035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 O10 |
---|---|
Calculated formula | C36 H36 O10 |
SMILES | O1[C@@H](Oc2cc(c(c(c2)C)c2ccccc2C#Cc2ccccc2)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C |
Title of publication | Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism. |
Authors of publication | Hu, Zhifei; Tang, Yu; Yu, Biao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 12 |
Pages of publication | 4806 - 4810 |
a | 10.7002 ± 0.0004 Å |
b | 23.8506 ± 0.0008 Å |
c | 22.5203 ± 0.0008 Å |
α | 90° |
β | 98.085 ± 0.001° |
γ | 90° |
Cell volume | 5690.2 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1336 |
Residual factor for significantly intense reflections | 0.102 |
Weighted residual factors for significantly intense reflections | 0.2625 |
Weighted residual factors for all reflections included in the refinement | 0.299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/4129035.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.