Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157522
Preview
Coordinates | 7157522.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H2 Cl0.14 N0.43 O0.29 |
---|---|
Calculated formula | C2 H2 Cl0.142857 N0.428571 O0.285714 |
Title of publication | Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles. |
Authors of publication | Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 23 |
Pages of publication | 4470 - 4478 |
a | 6.5916 ± 0.0013 Å |
b | 4.0692 ± 0.0007 Å |
c | 26.512 ± 0.006 Å |
α | 90° |
β | 94.367 ± 0.009° |
γ | 90° |
Cell volume | 709.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
257922 (current) | 2020-10-06 | cif/ Updating files of 7157520, 7157521, 7157522 Original log message: Adding full bibliography for 7157520--7157522.cif. |
7157522.cif |
253988 | 2020-07-06 | cif/ Updating files of 7157520, 7157521, 7157522 Original log message: Adding full bibliography for 7157520--7157522.cif. |
7157522.cif |
252431 | 2020-05-28 | cif/ Adding structures of 7157520, 7157521, 7157522 via cif-deposit CGI script. |
7157522.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.