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Information card for entry 4518332
Preview
| Coordinates | 4518332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 N O2 S |
|---|---|
| Calculated formula | C31 H29 N O2 S |
| Title of publication | Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization |
| Authors of publication | Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 383 - 389 |
| a | 13.793 ± 0.002 Å |
| b | 18.478 ± 0.003 Å |
| c | 20.113 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5126.1 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260063 (current) | 2020-12-22 | cif/ Adding structures of 4518332 via cif-deposit CGI script. |
4518332.cif |
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