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Information card for entry 7233543
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| Coordinates | 7233543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (+/-)Synephrine Terephthalic acid (1:0.5) monohydrate |
|---|---|
| Formula | C13 H18 N O5 |
| Calculated formula | C13 H18 N O5 |
| Title of publication | Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. |
| Authors of publication | Dash, Sibananda G.; Thakur, Tejender S. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2019 |
| a | 15.4695 ± 0.0012 Å |
| b | 11.6758 ± 0.0005 Å |
| c | 15.9648 ± 0.001 Å |
| α | 90° |
| β | 112.858 ± 0.008° |
| γ | 90° |
| Cell volume | 2657.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217820 (current) | 2019-08-29 | cif/ Adding structures of 7233533, 7233534, 7233535, 7233536, 7233537, 7233538, 7233539, 7233540, 7233541, 7233542, 7233543 via cif-deposit CGI script. |
7233543.cif |
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Users of the data should acknowledge the original authors of the
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