Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158019
Preview
Coordinates | 7158019.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H10 I N O3 |
---|---|
Calculated formula | C15 H10 I N O3 |
SMILES | c1ccccc1C(=O)C(=O)Nc1ccc(cc1C=O)I |
Title of publication | I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides. |
Authors of publication | Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 4258 - 4262 |
a | 7.7449 ± 0.0012 Å |
b | 16.862 ± 0.003 Å |
c | 21.49 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2806.5 ± 0.8 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0835 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266160 (current) | 2021-06-05 | cif/ Updating files of 7158019 Original log message: Adding full bibliography for 7158019.cif. |
7158019.cif |
264182 | 2021-04-15 | cif/ Adding structures of 7158019 via cif-deposit CGI script. |
7158019.cif |
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.