Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1577317
Preview
| Coordinates | 1577317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 O3 |
|---|---|
| Calculated formula | C15 H18 O3 |
| Title of publication | Diastereoselective Synthesis of Spiro[2,n]alkanes via Intramolecular Carbolithiation |
| Authors of publication | Teschers, Charlotte S.; Barra, Cyriac; Scherübl, Maximilian; Zuber, Julian; Marek, Ilan |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 10.7981 ± 0.0008 Å |
| b | 7.4662 ± 0.0005 Å |
| c | 16.4344 ± 0.0012 Å |
| α | 90° |
| β | 93.101 ± 0.003° |
| γ | 90° |
| Cell volume | 1323.01 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 306116 (current) | 2026-05-29 | cif/ Adding structures of 1577317 via cif-deposit CGI script. |
1577317.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.