Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123491
Preview
| Coordinates | 7123491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 N O2 S |
|---|---|
| Calculated formula | C25 H27 N O2 S |
| Title of publication | TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives |
| Authors of publication | Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.2849 ± 0.0003 Å |
| b | 11.8237 ± 0.0003 Å |
| c | 19.1053 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2097.42 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215288 (current) | 2019-05-18 | cif/ Adding structures of 7123486, 7123487, 7123488, 7123489, 7123490, 7123491, 7123492 via cif-deposit CGI script. |
7123491.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.