Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547111
Preview
Coordinates | 1547111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H31 Br N2 O4 |
---|---|
Calculated formula | C34 H31 Br N2 O4 |
SMILES | Brc1ccc(N[C@]([C@@H]2C(=CN(Cc3ccccc3)c3c2cccc3)C(=O)OCC)(c2ccccc2)C(=O)OC)cc1.Brc1ccc(N[C@@]([C@H]2C(=CN(Cc3ccccc3)c3c2cccc3)C(=O)OCC)(c2ccccc2)C(=O)OC)cc1 |
Title of publication | Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives. |
Authors of publication | Kang, Zhenghui; Zhang, Dan; Hu, Wenhao |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 14 |
Pages of publication | 3783 - 3786 |
a | 9.9071 ± 0.0004 Å |
b | 12.2529 ± 0.0005 Å |
c | 13.6988 ± 0.0006 Å |
α | 98.655 ± 0.001° |
β | 110.948 ± 0.001° |
γ | 98.93 ± 0.001° |
Cell volume | 1495.45 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1547111.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.