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Information card for entry 4035176
Preview
| Coordinates | 4035176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H41 N O4 |
|---|---|
| Calculated formula | C24 H41 N O4 |
| Title of publication | Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides. |
| Authors of publication | Chang, Denghu; Zhao, Rong; Wei, Congyin; Yao, Yuan; Liu, Yang; Shi, Lei |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 6 |
| Pages of publication | 3305 - 3315 |
| a | 15.2253 ± 0.0009 Å |
| b | 9.1994 ± 0.0006 Å |
| c | 17.8109 ± 0.001 Å |
| α | 90° |
| β | 97.278 ± 0.005° |
| γ | 90° |
| Cell volume | 2474.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1381 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2066 |
| Weighted residual factors for all reflections included in the refinement | 0.2538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4035176.cif |
| 226653 | 2019-11-11 | cif/ Adding structures of 4035176 via cif-deposit CGI script. |
4035176.cif |
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Users of the data should acknowledge the original authors of the
structural data.