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Information card for entry 4135475
Preview
| Coordinates | 4135475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 Br2 N O3 S |
|---|---|
| Calculated formula | C21 H15 Br2 N O3 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 | 6.75499 ± 0.00015 Å |
| b | 10.0036 ± 0.0002 Å |
| c | 28.9 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1952.89 ± 0.08 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260316 (current) | 2021-01-01 | cif/ Adding structures of 4135475 via cif-deposit CGI script. |
4135475.cif |
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