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Information card for entry 4513742
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4513742.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 N2 O2 |
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Calculated formula | C20 H18 N2 O2 |
SMILES | O=C1N(C(=O)[C@H]2c3c(N4[C@H](CCC4)[C@@H]12)cccc3)c1ccccc1.O=C1N(C(=O)[C@@H]2c3c(N4[C@@H](CCC4)[C@H]12)cccc3)c1ccccc1 |
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 | 5.238 ± 0.002 Å |
b | 12.589 ± 0.002 Å |
c | 11.597 ± 0.003 Å |
α | 90° |
β | 91.334 ± 0.015° |
γ | 90° |
Cell volume | 764.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.7109 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/4513742.html
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Users of the data should acknowledge the original authors of the
structural data.