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Information card for entry 2023401
Preview
| Coordinates | 2023401.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,1',1''-[(2-Bromoethoxy)methanetriyl]tribenzene |
|---|---|
| Formula | C21 H19 Br O |
| Calculated formula | C21 H19 Br O |
| Title of publication | Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene. |
| Authors of publication | Fischer, Julian; Hebenbrock, Marian |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 3 |
| Pages of publication | 214 - 218 |
| a | 19.2056 ± 0.0005 Å |
| b | 10.5517 ± 0.0003 Å |
| c | 17.4704 ± 0.0005 Å |
| α | 90° |
| β | 107.512 ± 0.001° |
| γ | 90° |
| Cell volume | 3376.32 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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