Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1554286
Preview
Coordinates | 1554286.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 O |
---|---|
Calculated formula | C17 H14 O |
SMILES | C1(=O)c2ccccc2C(=C1CC)c1ccccc1 |
Title of publication | Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones |
Authors of publication | Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 1613 |
a | 8.166 ± 0.004 Å |
b | 9.066 ± 0.005 Å |
c | 9.404 ± 0.006 Å |
α | 85.402 ± 0.019° |
β | 75.824 ± 0.017° |
γ | 71.601 ± 0.017° |
Cell volume | 640.5 ± 0.6 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/1554286.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.