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Information card for entry 2022922
Preview
| Coordinates | 2022922.cif |
|---|---|
| Structure factors | 2022922.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl}-3,5-bis{[(4,6-\ dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene formamide monosolvate |
|---|---|
| Formula | C39 H53 N5 O4 |
| Calculated formula | C39 H53 N5 O4 |
| Title of publication | Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene. |
| Authors of publication | Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1067 - 1071 |
| a | 8.4178 ± 0.0004 Å |
| b | 13.1915 ± 0.0007 Å |
| c | 16.4645 ± 0.0009 Å |
| α | 91.823 ± 0.003° |
| β | 93.269 ± 0.002° |
| γ | 104.534 ± 0.002° |
| Cell volume | 1764.87 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0888 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288129 (current) | 2023-12-07 | cif/ Updating files of 2022922, 2022923 Original log message: Adding full bibliography for 2022922--2022923.cif. |
2022922.cif 2022922.hkl |
| 287107 | 2023-10-25 | cif/ hkl/ Adding structures of 2022922, 2022923 via cif-deposit CGI script. |
2022922.cif 2022922.hkl |
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