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Information card for entry 4513737
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4513737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 F5 N2 O2 |
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Calculated formula | C18 H11 F5 N2 O2 |
SMILES | Fc1c(N2C(=O)[C@@H]3CN(c4c(cccc4)[C@@H]3C2=O)C)c(F)c(F)c(F)c1F.Fc1c(N2C(=O)[C@H]3CN(c4c(cccc4)[C@H]3C2=O)C)c(F)c(F)c(F)c1F |
Title of publication | Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization |
Authors of publication | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. |
Journal of publication | ACS Catalysis |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 1 |
Pages of publication | 451 |
a | 11.342 ± 0.0014 Å |
b | 6.528 ± 0.0011 Å |
c | 21.294 ± 0.002 Å |
α | 90° |
β | 95.503 ± 0.002° |
γ | 90° |
Cell volume | 1569.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0494 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71079 Å |
Diffraction radiation type | Synchrotron |
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/4513737.html
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Users of the data should acknowledge the original authors of the
structural data.