Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115609
Preview
Coordinates | 7115609.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 N O6 |
---|---|
Calculated formula | C24 H25 N O6 |
SMILES | o1c(nc(c1c1ccc(cc1)C)C(C(=O)OCC)C(=O)OCC)c1ccc(OC)cc1 |
Title of publication | Synthesis of 2,4,5-trisubstituted oxazoles through tin(IV) chloride-mediated reaction of trans-2-aryl-3-nitro-cyclopropane-1,1-dicarboxylates with nitriles |
Authors of publication | Thangavel Selvia; Kannupal Srinivasan |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10845 |
a | 13.637 ± 0.007 Å |
b | 13.749 ± 0.007 Å |
c | 12.866 ± 0.007 Å |
α | 90° |
β | 111.745 ± 0.008° |
γ | 90° |
Cell volume | 2241 ± 2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0758 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1877 |
Weighted residual factors for all reflections included in the refinement | 0.2115 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/7115609.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.