Information card for entry 2243327

Structure parameters

• Chemical name: 1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate
• Formula: C18 H19 B F4 N2 O2 S
• Calculated formula: C18 H19 B F4 N2 O2 S
• Title of publication: Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates
• Authors of publication: Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 552 - 556
• a: 7.9117 ± 0.0003 Å
• b: 11.476 ± 0.0004 Å
• c: 20.9659 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1903.59 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes