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Information card for entry 7123255
Preview
| Coordinates | 7123255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 N O2 |
|---|---|
| Calculated formula | C16 H9 N O2 |
| Title of publication | Visible-Light-Driven Copper-Catalyzed Aerobic Oxidative Cascade Cyclization of N-Tosylhydrazones and Terminal Alkynes: Regioselective Synthesis of 3-Arylcoumarins |
| Authors of publication | Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.795 ± 0.007 Å |
| b | 7.246 ± 0.004 Å |
| c | 12.168 ± 0.006 Å |
| α | 90° |
| β | 105.255 ± 0.011° |
| γ | 90° |
| Cell volume | 1173.4 ± 1.1 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 | 0.1394 |
| Residual factor for significantly intense reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.2398 |
| Weighted residual factors for all reflections included in the refinement | 0.2722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214475 (current) | 2019-04-04 | cif/ Adding structures of 7123254, 7123255, 7123256 via cif-deposit CGI script. |
7123255.cif |
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Users of the data should acknowledge the original authors of the
structural data.