Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1562388
Preview
| Coordinates | 1562388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H31 N3 O6 S |
|---|---|
| Calculated formula | C31 H31 N3 O6 S |
| Title of publication | Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles |
| Authors of publication | Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 20.0965 ± 0.0008 Å |
| b | 5.88104 ± 0.00018 Å |
| c | 26.5867 ± 0.001 Å |
| α | 90° |
| β | 98.87 ± 0.004° |
| γ | 90° |
| Cell volume | 3104.7 ± 0.2 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.1829 |
| Weighted residual factors for all reflections included in the refinement | 0.1849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265010 (current) | 2021-05-07 | cif/ Adding structures of 1562388, 1562389 via cif-deposit CGI script. |
1562388.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.