Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519185
Preview
| Coordinates | 4519185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 F6 N O4 P S2 |
|---|---|
| Calculated formula | C24 H24 F6 N O4 P S2 |
| Title of publication | Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids |
| Authors of publication | O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 47 |
| Pages of publication | 32285 - 32296 |
| a | 16.2282 ± 0.0005 Å |
| b | 19.4802 ± 0.0005 Å |
| c | 8.9123 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2817.43 ± 0.15 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271051 (current) | 2021-12-03 | cif/ Adding structures of 4519185 via cif-deposit CGI script. |
4519185.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.