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Information card for entry 4135476
Preview
| Coordinates | 4135476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H23 Br Cl2 N4 O5 S |
|---|---|
| Calculated formula | C30 H23 Br Cl2 N4 O5 S |
| Title of publication | Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis |
| Authors of publication | Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.1732 ± 0.0005 Å |
| b | 10.8571 ± 0.0005 Å |
| c | 14.6473 ± 0.0007 Å |
| α | 71.482 ± 0.005° |
| β | 78.632 ± 0.006° |
| γ | 79.222 ± 0.006° |
| Cell volume | 1490.43 ± 0.13 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1436 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260317 (current) | 2021-01-01 | cif/ Adding structures of 4135476 via cif-deposit CGI script. |
4135476.cif |
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