Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032376
Preview
Coordinates | 4032376.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H19 N O |
---|---|
Calculated formula | C25 H19 N O |
SMILES | C1(C=CC(=O)C1(c1ccccc1)c1ccccc1)c1c2ccccc2[nH]c1 |
Title of publication | Catalyst-Controlled Chemodivergent Modification of Indoles with 2-Furylcarbinols: Piancatelli Reaction vs Cross-Dehydrative Coupling Reaction. |
Authors of publication | Xu, Jianfeng; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Miao, Maozhong; Ren, Hongjun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3561 - 3570 |
a | 11.1054 ± 0.0005 Å |
b | 12.9232 ± 0.0007 Å |
c | 14.2178 ± 0.0009 Å |
α | 107.242 ± 0.002° |
β | 100.964 ± 0.001° |
γ | 98.286 ± 0.002° |
Cell volume | 1868.98 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0926 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1638 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/4032376.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.