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Information card for entry 7115887
Preview
Coordinates | 7115887.cif |
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Original paper (by DOI) | HTML |
Common name | spirocyclic pyrroline_2 |
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Formula | C28 H17 F7 N4 O6 |
Calculated formula | C28 H17 F7 N4 O6 |
SMILES | Fc1cc(c(N(=O)=O)cc1)[C@]1(N=C[C@@]2(C1)c1ccccc1N(C2=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC.Fc1cc(c(N(=O)=O)cc1)[C@@]1(N=C[C@]2(C1)c1ccccc1N(C2=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC |
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 | 15.47 ± 0.002 Å |
b | 9.988 ± 0.001 Å |
c | 18.047 ± 0.003 Å |
α | 90° |
β | 108.19 ± 0.006° |
γ | 90° |
Cell volume | 2649.2 ± 0.6 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for all reflections | 0.1217 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9091 |
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/7115887.html
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Users of the data should acknowledge the original authors of the
structural data.