Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4035694
Preview
Coordinates | 4035694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 F4 O4 |
---|---|
Calculated formula | C36 H30 F4 O4 |
SMILES | FC(F)(C(=O)OCC)CC1(c2ccccc2c2ccccc12)C1(c2ccccc2c2c1cccc2)CC(F)(F)C(=O)OCC |
Title of publication | Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization. |
Authors of publication | Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 23 |
Pages of publication | 14626 - 14636 |
a | 17.5468 ± 0.0008 Å |
b | 10.6086 ± 0.0005 Å |
c | 16.1722 ± 0.0007 Å |
α | 90° |
β | 105.657 ± 0.002° |
γ | 90° |
Cell volume | 2898.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.01 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1352 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 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/4035694.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.