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Information card for entry 2023566
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| Coordinates | 2023566.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Metaraminol hydrogen tartrate |
|---|---|
| Chemical name | 3-[(1<i>R</i>,2<i>S</i>)-2-Azaniumyl-1-hydroxypropyl]phenol (2<i>S</i>,3<i>S</i>)-hydrogen 2,3-dihydroxybutanedioate |
| Formula | C13 H19 N O8 |
| Calculated formula | C13 H19 N O8 |
| Title of publication | Structure of metaraminol hydrogen tartrate from synchrotron X-ray data and density functional theory calculations |
| Authors of publication | Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2026 |
| Journal volume | 82 |
| Journal issue | 10 |
| a | 7.190512 ± 0.000012 Å |
| b | 8.421634 ± 0.000017 Å |
| c | 24.69323 ± 0.00005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1495.32 ± 0.005 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 |
| Weighted residual factors for significantly intense reflections | 0.10545 |
| Goodness-of-fit parameter for all reflections | 2.744 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.46873 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306886 (current) | 2026-09-15 | cif/ Adding structures of 2023566, 2023567 via cif-deposit CGI script. |
2023566.cif |
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