Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123490
Preview
| Coordinates | 7123490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H84 N4 O8 S4 |
|---|---|
| Calculated formula | C72 H84 N4 O8 S4 |
| 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 | 17.8848 ± 0.0004 Å |
| b | 7.37022 ± 0.00015 Å |
| c | 25.6676 ± 0.0006 Å |
| α | 90° |
| β | 107.315 ± 0.003° |
| γ | 90° |
| Cell volume | 3230.05 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.213 |
| Weighted residual factors for all reflections included in the refinement | 0.24 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7123490.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.