Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569454
Preview
| Coordinates | 1569454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H25 N2 O2 S |
|---|---|
| Calculated formula | C31 H24 N2 O2 S |
| Title of publication | Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams. |
| Authors of publication | Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 26 |
| Pages of publication | 7291 - 7303 |
| a | 8.348 ± 0.005 Å |
| b | 9.154 ± 0.005 Å |
| c | 16.683 ± 0.009 Å |
| α | 98.03 ± 0.02° |
| β | 92.58 ± 0.02° |
| γ | 90.2 ± 0.02° |
| Cell volume | 1261 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286054 (current) | 2023-09-05 | cif/ Updating files of 1569453, 1569454 Original log message: Adding full bibliography for 1569453--1569454.cif. |
1569454.cif |
| 284999 | 2023-07-06 | cif/ Adding structures of 1569453, 1569454 via cif-deposit CGI script. |
1569454.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.