Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503872
Preview
Coordinates | 1503872.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 Br N O |
---|---|
Calculated formula | C17 H16 Br N O |
SMILES | Brc1ccc(cc1)[C@@H](c1cc2c(CC=CC2)[nH]1)CC=O |
Title of publication | Organocatalytic enantioselective Friedel-Crafts alkylation of 4,7-dihydroindoles with alpha,beta-unsaturated aldehydes: an easy access to 2-substituted indoles. |
Authors of publication | Hong, Liang; Liu, Chunxia; Sun, Wangsheng; Wang, Lei; Wong, Kwokyin; Wang, Rui |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 2177 - 2180 |
a | 6.708 ± 0.002 Å |
b | 9.888 ± 0.003 Å |
c | 11.794 ± 0.004 Å |
α | 90° |
β | 102.551 ± 0.015° |
γ | 90° |
Cell volume | 763.6 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0741 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
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/1503872.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.