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Information card for entry 7233538
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| Coordinates | 7233538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (+/-)-Synephrine |
|---|---|
| Chemical name | (+/-)-Synephrine |
| Formula | C9 H13 N O2 |
| Calculated formula | C9 H13 N O2 |
| 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 | 8.869 ± 0.005 Å |
| b | 12.103 ± 0.006 Å |
| c | 9.009 ± 0.004 Å |
| α | 90° |
| β | 113.4 ± 0.008° |
| γ | 90° |
| Cell volume | 887.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71075 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. |
7233538.cif |
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Users of the data should acknowledge the original authors of the
structural data.