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Information card for entry 7235478
Preview
| Coordinates | 7235478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H34 N2 O4 |
|---|---|
| Calculated formula | C21 H33.5 N2 O4 |
| Title of publication | Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure |
| Authors of publication | Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 49 |
| Pages of publication | 25609 |
| a | 16.749 ± 0.004 Å |
| b | 8.124 ± 0.002 Å |
| c | 17.552 ± 0.004 Å |
| α | 90° |
| β | 116.504 ± 0.003° |
| γ | 90° |
| Cell volume | 2137.3 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1133 |
| Residual factor for significantly intense reflections | 0.0814 |
| Weighted residual factors for significantly intense reflections | 0.2084 |
| Weighted residual factors for all reflections included in the refinement | 0.2435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233063 (current) | 2019-11-23 | cif/ Adding structures of 7235476, 7235477, 7235478, 7235479 via cif-deposit CGI script. |
7235478.cif |
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Users of the data should acknowledge the original authors of the
structural data.