Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223947
Preview
| Coordinates | 7223947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Cl N O |
|---|---|
| Calculated formula | C14 H16 Cl N O |
| SMILES | Clc1c([C@@H]2CC(=O)N3[C@H]2CCC3)c(ccc1)C |
| Title of publication | Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy |
| Authors of publication | Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 8243 |
| a | 7.6652 ± 0.0006 Å |
| b | 7.8614 ± 0.0006 Å |
| c | 20.6346 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1243.42 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174675 (current) | 2016-01-21 | cif/ Adding structures of 7223946, 7223947 via cif-deposit CGI script. |
7223947.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.