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Information card for entry 7235479
Preview
| Coordinates | 7235479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H41 N O9 |
|---|---|
| Calculated formula | C34 H41 N O9 |
| 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 | 29.287 ± 0.005 Å |
| b | 7.6383 ± 0.0012 Å |
| c | 18.538 ± 0.004 Å |
| α | 90° |
| β | 126.49 ± 0.004° |
| γ | 90° |
| Cell volume | 3334 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235479.cif |
| 233063 | 2019-11-23 | cif/ Adding structures of 7235476, 7235477, 7235478, 7235479 via cif-deposit CGI script. |
7235479.cif |
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Users of the data should acknowledge the original authors of the
structural data.