Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115892
Preview
Coordinates | 7115892.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H17 F7 N4 O6 |
---|---|
Calculated formula | C28 H17 F7 N4 O6 |
SMILES | Fc1cc([C@@]2(N=C[C@]3(C2)C(=O)N(c2c3cccc2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c(N(=O)=O)cc1.Fc1cc([C@]2(N=C[C@@]3(C2)C(=O)N(c2c3cccc2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c(N(=O)=O)cc1 |
Title of publication | A cation-directed two-component cascade approach to enantioenriched pyrroloindolines |
Authors of publication | Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13585 |
a | 7.9955 ± 0.0004 Å |
b | 10.0717 ± 0.0005 Å |
c | 16.9314 ± 0.0009 Å |
α | 76.919 ± 0.005° |
β | 89.286 ± 0.004° |
γ | 83.437 ± 0.004° |
Cell volume | 1319.25 ± 0.12 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0503 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for all reflections | 0.1138 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1135 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9706 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Duplicate of | 7115888 |
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/7115892.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.