Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545225
Preview
| Coordinates | 1545225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N O2 |
|---|---|
| Calculated formula | C20 H23 N O2 |
| SMILES | N12CC[C@@H]([C@H](C1)Cc1cc(c(cc21)OC)OC)c1ccccc1.N12CC[C@H]([C@@H](C1)Cc1cc(c(cc21)OC)OC)c1ccccc1 |
| Title of publication | Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction. |
| Authors of publication | Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 1 |
| Pages of publication | 266 - 269 |
| a | 10.584 ± 0.004 Å |
| b | 14.302 ± 0.005 Å |
| c | 11.308 ± 0.004 Å |
| α | 90° |
| β | 110.207 ± 0.004° |
| γ | 90° |
| Cell volume | 1606.4 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1693 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191317 (current) | 2017-02-04 | cif/ Adding structures of 1545225 via cif-deposit CGI script. |
1545225.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.