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Information card for entry 4513560
Preview
| Coordinates | 4513560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 N O6 |
|---|---|
| Calculated formula | C15 H17 N O6 |
| SMILES | OCc1c(c(O)c([nH+]c1)C)CO.[O-]C(=O)c1ccc(O)cc1 |
| Title of publication | Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts |
| Authors of publication | Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 3474 |
| a | 15.2676 ± 0.0015 Å |
| b | 6.8912 ± 0.0007 Å |
| c | 26.705 ± 0.003 Å |
| α | 90° |
| β | 95.223 ± 0.01° |
| γ | 90° |
| Cell volume | 2798 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 153922 (current) | 2015-09-04 | cif/ Adding structures of 4513560 via cif-deposit CGI script. |
4513560.cif |
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Users of the data should acknowledge the original authors of the
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