Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7111563
Preview
Coordinates | 7111563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 Cl2 N O6 |
---|---|
Calculated formula | C24 H21 Cl2 N O6 |
SMILES | Clc1c([C@H]2NC([C@@H]3[C@H]2C(=O)c2c(cccc2)C3=O)(C(=O)OCC)C(=O)OCC)cccc1Cl |
Title of publication | Asymmetric organocatalytic formal double-arylation of azomethines for the synthesis of highly enantiomerically enriched isoindolines |
Authors of publication | Wang, Chao; Chen, Xiao-Hua; Zhou, Shi-Ming; Gong, Liu-Zhu |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 8 |
Pages of publication | 1275 - 1277 |
a | 8.314 ± 0.005 Å |
b | 22.63 ± 0.005 Å |
c | 12.582 ± 0.005 Å |
α | 90 ± 0.005° |
β | 94.055 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2361.3 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0594 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1429 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Duplicate of | 7105251 |
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/7111563.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.