Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037221
Preview
Coordinates | 4037221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 N2 O3 |
---|---|
Calculated formula | C18 H18 N2 O3 |
SMILES | o1c2c(ccc(N(=O)=O)c2)c(c1N(CC)CC)c1ccccc1 |
Title of publication | Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds. |
Authors of publication | Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9206 - 9218 |
a | 7.2107 ± 0.0007 Å |
b | 14.9108 ± 0.0014 Å |
c | 16.2218 ± 0.0015 Å |
α | 115.006 ± 0.004° |
β | 90.24 ± 0.004° |
γ | 100.357 ± 0.004° |
Cell volume | 1548.6 ± 0.3 Å3 |
Cell temperature | 159 ± 2 K |
Ambient diffraction temperature | 159.14 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 | 0.0967 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.2056 |
Weighted residual factors for all reflections included in the refinement | 0.2206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0717 |
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/4037221.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.