Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159909
Preview
| Coordinates | 7159909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H108 Br4 N8 O16 S8 |
|---|---|
| Calculated formula | C124 H108 Br4 N8 O16 S8 |
| Title of publication | A Highly Diastereoselective One-Pot Ugi/Radical Spirocyclization/Aza-Michael Addition Sequence |
| Authors of publication | Volla, Chandra; Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay Murali |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 13.7999 ± 0.0004 Å |
| b | 15.4016 ± 0.0004 Å |
| c | 27.5518 ± 0.0008 Å |
| α | 87.085 ± 0.002° |
| β | 81.887 ± 0.002° |
| γ | 82.628 ± 0.002° |
| Cell volume | 5746.1 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.212 |
| Weighted residual factors for all reflections included in the refinement | 0.2553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 291328 (current) | 2024-04-23 | cif/ Adding structures of 7159909 via cif-deposit CGI script. |
7159909.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.