Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157648
Preview
Coordinates | 7157648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H15 N O3 |
---|---|
Calculated formula | C20 H15 N O3 |
Title of publication | Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates. |
Authors of publication | Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 34 |
Pages of publication | 6724 - 6731 |
a | 13.5094 ± 0.0016 Å |
b | 11.092 ± 0.0009 Å |
c | 21.2668 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3186.8 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0607 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation probe | x-ray |
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/7157648.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.