Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157158
Preview
| Coordinates | 7157158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H28 N2 O3 |
|---|---|
| Calculated formula | C25 H28 N2 O3 |
| Title of publication | A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles. |
| Authors of publication | He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 9529 |
| a | 13.4238 ± 0.0005 Å |
| b | 10.0908 ± 0.0003 Å |
| c | 16.9778 ± 0.0007 Å |
| α | 90° |
| β | 96.486 ± 0.004° |
| γ | 90° |
| Cell volume | 2285.04 ± 0.15 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| 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 | 0.1043 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1724 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157158.cif |
| 225314 | 2019-11-08 | cif/ Updating files of 7157158, 7157159 Original log message: Adding full bibliography for 7157158--7157159.cif. |
7157158.cif |
| 219479 | 2019-10-24 | cif/ Adding structures of 7157158 via cif-deposit CGI script. |
7157158.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.