Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034737
Preview
Coordinates | 4034737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H24 Cl2 N2 O5 |
---|---|
Calculated formula | C33 H24 Cl2 N2 O5 |
SMILES | Clc1ccc([C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]3(N=C(OC3=O)c3ccccc3)[C@@]2(NC(=O)c2ccccc2)C(=O)OC)cc1.Clc1ccc([C@H]2[C@H](c3ccc(Cl)cc3)[C@@]3(N=C(OC3=O)c3ccccc3)[C@]2(NC(=O)c2ccccc2)C(=O)OC)cc1 |
Title of publication | Stereoselective Intermolecular [2 + 2] Cycloadditions of Erlenmeyer-Plöchl Azlactones Using Visible Light Photoredox Catalysis. |
Authors of publication | Marra, Isabellar F. S.; de Almeida, Angelina M.; Silva, Larissa P.; de Castro, Pedro P.; Corrêa, Charlane C; Amarante, Giovanni Wilson |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 24 |
Pages of publication | 15144 - 15154 |
a | 25.0644 ± 0.0008 Å |
b | 18.8372 ± 0.0007 Å |
c | 13.6807 ± 0.0005 Å |
α | 90° |
β | 100.82 ± 0.004° |
γ | 90° |
Cell volume | 6344.4 ± 0.4 Å3 |
Cell temperature | 150.01 ± 0.1 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1845 |
Weighted residual factors for all reflections included in the refinement | 0.2117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4034737.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.