Information card for entry 2242430

Structure parameters

• 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 ų
• 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