Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7133185
Preview
Coordinates | 7133185.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 Cl N2 O3 |
---|---|
Calculated formula | C24 H21 Cl N2 O3 |
Title of publication | Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles. |
Authors of publication | Wang, Tao; Lu, Zhongyue; Li, Pengfei |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 54 |
Pages of publication | 6933 - 6936 |
a | 9.6896 ± 0.0005 Å |
b | 10.1998 ± 0.0005 Å |
c | 10.8323 ± 0.0006 Å |
α | 89.99 ± 0.002° |
β | 71.675 ± 0.002° |
γ | 84.875 ± 0.002° |
Cell volume | 1011.78 ± 0.09 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0295 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.0743 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7133185.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.