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Information card for entry 4032814
Preview
| Coordinates | 4032814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 N O4 S |
|---|---|
| Calculated formula | C25 H19 N O4 S |
| Title of publication | Copper-Catalyzed Oxidative Cyclization of Alkynes with Sulfonylhydrazides Leading to 2-Sulfonated 9H-pyrrolo[1,2-a]indol-9-ones. |
| Authors of publication | Zhu, Xin-Yu; Li, Ming; Han, Ya-Ping; Chen, Si; Li, Xue-Song; Liang, Yong-Min |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 16 |
| Pages of publication | 8761 - 8768 |
| a | 17.0424 ± 0.0008 Å |
| b | 5.8162 ± 0.0003 Å |
| c | 21.1265 ± 0.0012 Å |
| α | 90° |
| β | 91.919 ± 0.005° |
| γ | 90° |
| Cell volume | 2092.93 ± 0.19 Å3 |
| Cell temperature | 289.86 ± 0.1 K |
| Ambient diffraction temperature | 289.86 ± 0.1 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 | 0.114 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200462 (current) | 2017-09-11 | cif/ Adding structures of 4032814 via cif-deposit CGI script. |
4032814.cif |
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Users of the data should acknowledge the original authors of the
structural data.