Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4039019
Preview
| Coordinates | 4039019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N O3 S |
|---|---|
| Calculated formula | C12 H15 N O3 S |
| Title of publication | Asymmetric synthesis of a stereopentade fragment toward latrunculins |
| Authors of publication | Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien |
| Journal of publication | Beilstein Journal of Organic Chemistry |
| Year of publication | 2023 |
| Journal volume | 19 |
| Pages of publication | 428 - 433 |
| a | 5.5075 ± 0.0016 Å |
| b | 5.6395 ± 0.0015 Å |
| c | 19.524 ± 0.006 Å |
| α | 90° |
| β | 93.936 ± 0.009° |
| γ | 90° |
| Cell volume | 605 ± 0.3 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 | 0.1064 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.2167 |
| Weighted residual factors for all reflections included in the refinement | 0.2346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282631 (current) | 2023-04-14 | cif/ Adding structures of 4039019 via cif-deposit CGI script. |
4039019.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.