Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553587
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553587.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H11 I N2 O2 |
---|---|
Calculated formula | C12 H11 I N2 O2 |
Title of publication | Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position |
Authors of publication | He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 1046 |
a | 6.9379 ± 0.0019 Å |
b | 19.798 ± 0.006 Å |
c | 17.773 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2441.2 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c e |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
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/1553587.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.