Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160323
Preview
| Coordinates | 7160323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H27 N O5 S |
|---|---|
| Calculated formula | C26 H27 N O5 S |
| Title of publication | Synthesis of 4-hydroxypiperidines containing a quaternary stereocenter by aza-Prins cyclization. |
| Authors of publication | Le Roch, Myriam; Gouault, Nicolas; Renault, Jacques; Argouarch, Gilles; Roisnel, Thierry; Banik, Swarnayu; Subba Reddy, B. V.; Lalli, Claudia |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 7 |
| Pages of publication | 1644 - 1652 |
| a | 11.7842 ± 0.0013 Å |
| b | 10.2201 ± 0.0011 Å |
| c | 19.2 ± 0.002 Å |
| α | 90° |
| β | 93.221 ± 0.004° |
| γ | 90° |
| Cell volume | 2308.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 299115 (current) | 2025-04-05 | cif/ Updating files of 7160323 Original log message: Adding full bibliography for 7160323.cif. |
7160323.cif |
| 297058 | 2025-01-04 | cif/ Adding structures of 7160323 via cif-deposit CGI script. |
7160323.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.