Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7212125
Preview
Coordinates | 7212125.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (1,2,3-triMeIM)(MeCO3) |
---|---|
Formula | C8 H14 N2 O3 |
Calculated formula | C8 H14 N2 O3 |
SMILES | O=C([O-])OC.n1(C)c([n+](C)cc1)C |
Title of publication | New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores |
Authors of publication | Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D. |
Journal of publication | Green Chemistry |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 491 |
a | 6.8805 ± 0.0006 Å |
b | 11.6254 ± 0.001 Å |
c | 11.9614 ± 0.0011 Å |
α | 90° |
β | 96.229 ± 0.002° |
γ | 90° |
Cell volume | 951.13 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.051 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212125.html
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.