Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555321
Preview
| Coordinates | 1555321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 B F4 N |
|---|---|
| Calculated formula | C22 H20 B F4 N |
| Title of publication | A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions. |
| Authors of publication | Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4862 - 4865 |
| a | 8.30165 ± 0.00015 Å |
| b | 11.9912 ± 0.0002 Å |
| c | 19.0328 ± 0.0004 Å |
| α | 81.1115 ± 0.0007° |
| β | 89.9577 ± 0.0007° |
| γ | 75.0852 ± 0.0007° |
| Cell volume | 1807.32 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0684 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238476 (current) | 2019-11-24 | cif/ Adding structures of 1555321 via cif-deposit CGI script. |
1555321.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.