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Information card for entry 2242430
Preview
| Coordinates | 2242430.cif |
|---|---|
| Structure factors | 2242430.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate |
|---|---|
| Formula | C46 H64 O S12 Si3 |
| Calculated formula | C46 H64 O S12 Si3 |
| Title of publication | Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate |
| Authors of publication | Fleck, Nico; Schnakenburg, Gregor; Filippou, Alexander C.; Schiemann, Olav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 539 - 542 |
| a | 14.9964 ± 0.0004 Å |
| b | 15.107 ± 0.0004 Å |
| c | 16.0026 ± 0.0004 Å |
| α | 91.6815 ± 0.0013° |
| β | 117.608 ± 0.0011° |
| γ | 99.1383 ± 0.0012° |
| Cell volume | 3149.79 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1726 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207092 (current) | 2018-03-24 | cif/ hkl/ Adding structures of 2242430 via cif-deposit CGI script. |
2242430.cif 2242430.hkl |
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Users of the data should acknowledge the original authors of the
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