Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566792
Preview
Coordinates | 1566792.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | R)-3-Methyl-2-(phenyl(thiophen-2-yl)methyl)-1H-indole |
---|---|
Formula | C20 H17 N S |
Calculated formula | C20 H17 N S |
Title of publication | Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes |
Authors of publication | Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 8.3698 ± 0.0002 Å |
b | 8.6024 ± 0.0002 Å |
c | 11.6963 ± 0.0002 Å |
α | 103.438 ± 0.002° |
β | 103.111 ± 0.002° |
γ | 102.977 ± 0.002° |
Cell volume | 762.79 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1566792.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.