Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232138
Preview
Coordinates | 7232138.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [DBNH][HCO3] |
---|---|
Formula | C8 H14 N2 O3 |
Calculated formula | C8 H14 N2 O3 |
Title of publication | Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts |
Authors of publication | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian |
Journal of publication | Green Chemistry |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 3 |
Pages of publication | 640 |
a | 7.7428 ± 0.0006 Å |
b | 11.1556 ± 0.0009 Å |
c | 10.4925 ± 0.0008 Å |
α | 90° |
β | 98.844 ± 0.001° |
γ | 90° |
Cell volume | 895.52 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7232138.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.