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Information card for entry 8000449
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| Coordinates | 8000449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | potassium 2-furoate |
|---|---|
| Chemical name | furan-2-carboxylic acid, potassium salt (1:1) |
| Formula | C5 H3 K O3 |
| Calculated formula | C5 H3 K O3 |
| Title of publication | Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation. |
| Authors of publication | Frankhouser, Amy D.; Kanan, Matthew W. |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Pages of publication | 7544 - 7551 |
| a | 3.9649 ± 0.0002 Å |
| b | 5.7919 ± 0.0004 Å |
| c | 25.7992 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 592.46 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255698 (current) | 2020-08-28 | cif/ Adding structures of 8000449 via cif-deposit CGI script. |
8000449.cif |
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