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Information card for entry 7232136
Preview
| Coordinates | 7232136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H21 N3 O2 |
|---|---|
| Calculated formula | C12 H21 N3 O2 |
| 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 | 9.3632 ± 0.0001 Å |
| b | 18.2488 ± 0.0002 Å |
| c | 8.129 ± 0.0001 Å |
| α | 90° |
| β | 114.812 ± 0.0007° |
| γ | 90° |
| Cell volume | 1260.76 ± 0.03 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232136.cif |
| 224637 | 2019-11-08 | cif/ Updating files of 7232134, 7232135, 7232136, 7232137, 7232138, 7232139, 7232140, 7232141, 7232142, 7232143, 7232144, 7232145, 7232146 Original log message: Adding full bibliography for 7232134--7232146.cif. |
7232136.cif |
| 212973 | 2019-01-11 | cif/ Adding structures of 7232134, 7232135, 7232136, 7232137, 7232138, 7232139, 7232140, 7232141, 7232142, 7232143, 7232144, 7232145, 7232146 via cif-deposit CGI script. |
7232136.cif |
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Users of the data should acknowledge the original authors of the
structural data.