Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571309
Preview
| Coordinates | 1571309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H24 N2 O2 S |
|---|---|
| Calculated formula | C31 H24 N2 O2 S |
| Title of publication | Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization. |
| Authors of publication | Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 17 |
| Pages of publication | 6544 - 6551 |
| a | 9.3547 ± 0.0002 Å |
| b | 11.556 ± 0.0003 Å |
| c | 12.3884 ± 0.0003 Å |
| α | 88.421 ± 0.002° |
| β | 69.933 ± 0.002° |
| γ | 76.069 ± 0.002° |
| Cell volume | 1218.69 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1885 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291563 (current) | 2024-05-05 | cif/ Updating files of 1571308, 1571309 Original log message: Adding full bibliography for 1571308--1571309.cif. |
1571309.cif |
| 290699 | 2024-03-29 | cif/ Adding structures of 1571308, 1571309 via cif-deposit CGI script. |
1571309.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.