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Information card for entry 2244118
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| Coordinates | 2244118.cif |
|---|---|
| Structure factors | 2244118.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2-Hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol |
|---|---|
| Formula | C26 H30 N2 O4 |
| Calculated formula | C26 H30 N2 O4 |
| Title of publication | Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol |
| Authors of publication | Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 7 |
| a | 19.998 ± 0.003 Å |
| b | 9.7472 ± 0.0009 Å |
| c | 23.54 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4588.5 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1354 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276377 (current) | 2022-06-29 | cif/ hkl/ Adding structures of 2244118 via cif-deposit CGI script. |
2244118.cif 2244118.hkl |
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