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Information card for entry 1555694
Preview
| Coordinates | 1555694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N O2 |
|---|---|
| Calculated formula | C16 H15 N O2 |
| Title of publication | Collective Synthesis of Phenanthridinone through C-H Activation Involving a Pd-Catalyzed Aryne Multicomponent Reaction. |
| Authors of publication | Feng, Minghao; Tang, Bingqing; Xu, Hong-Xi; Jiang, Xuefeng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 17 |
| Pages of publication | 4352 - 4355 |
| a | 32.3 ± 0.02 Å |
| b | 4.861 ± 0.003 Å |
| c | 20.038 ± 0.013 Å |
| α | 90° |
| β | 126.539 ± 0.017° |
| γ | 90° |
| Cell volume | 2528 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1241 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239024 (current) | 2019-11-24 | cif/ Adding structures of 1555694 via cif-deposit CGI script. |
1555694.cif |
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Users of the data should acknowledge the original authors of the
structural data.