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Information card for entry 4516239
Preview
| Coordinates | 4516239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3a in manuscript |
|---|---|
| Formula | C33.5 H31.5 Cl4.5 N2 O5 S2 |
| Calculated formula | C33.5 H31.5 Cl4.5 N2 O5 S2 |
| Title of publication | The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides |
| Authors of publication | Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 11663 |
| a | 34.081 ± 0.003 Å |
| b | 10.527 ± 0.0008 Å |
| c | 22.0782 ± 0.0018 Å |
| α | 90° |
| β | 114.326 ± 0.002° |
| γ | 90° |
| Cell volume | 7217.8 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1184 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231129 (current) | 2019-11-22 | cif/ Adding structures of 4516239 via cif-deposit CGI script. |
4516239.cif |
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