Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152872
Preview
Coordinates | 7152872.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H38 N2 O8 |
---|---|
Calculated formula | C30 H38 N2 O8 |
SMILES | N1(C(=O)c2c3c4c(cc2)C(=O)N(C(=O)c4ccc3C1=O)[C@@H](CC(C)C)[C@@H](O)OCC)[C@@H](CC(C)C)[C@@H](O)OCC |
Title of publication | Conversion of aldoximes into nitriles and amides under mild conditions. |
Authors of publication | Tambara, Koujiro; Pantoş, G Dan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2013 |
Journal volume | 11 |
Journal issue | 15 |
Pages of publication | 2466 - 2472 |
a | 5.7769 ± 0.0009 Å |
b | 8.856 ± 0.002 Å |
c | 14.249 ± 0.003 Å |
α | 84.286 ± 0.008° |
β | 79.6 ± 0.006° |
γ | 76.235 ± 0.008° |
Cell volume | 695.2 ± 0.2 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1024 |
Residual factor for significantly intense reflections | 0.0934 |
Weighted residual factors for significantly intense reflections | 0.2637 |
Weighted residual factors for all reflections included in the refinement | 0.2715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7152872.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.