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Information card for entry 4513744
Preview
| Coordinates | 4513744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O2 |
|---|---|
| Calculated formula | C19 H18 N2 O2 |
| SMILES | O=C1N(C(=O)[C@H]2CN(c3c(cccc3)[C@@H]12)C)Cc1ccccc1.O=C1N(C(=O)[C@@H]2CN(c3c(cccc3)[C@H]12)C)Cc1ccccc1 |
| 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 | 9.882 ± 0.002 Å |
| b | 36.918 ± 0.005 Å |
| c | 8.62 ± 0.004 Å |
| α | 90° |
| β | 99.99 ± 0.011° |
| γ | 90° |
| Cell volume | 3097.1 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175758 (current) | 2016-02-04 | cif/ Updating files of 4513736, 4513737, 4513738, 4513739, 4513740, 4513741, 4513742, 4513743, 4513744, 4513745, 4513746 Original log message: Adding full bibliography for 4513736--4513746.cif. |
4513744.cif |
| 171783 | 2016-01-01 | cif/ Adding structures of 4513744 via cif-deposit CGI script. |
4513744.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.