Information card for entry 4123887

Structure parameters

• Chemical name: Title
• Formula: C11 H20 Br2 N2 S
• Calculated formula: C11 H20 Br2 N2 S
• Title of publication: Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.
• Authors of publication: Talavera, Garazi; Peña, Javier; Alcarazo, Manuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 27
• Pages of publication: 8704 - 8707
• a: 10.9428 ± 0.0007 Å
• b: 12.0932 ± 0.0009 Å
• c: 11.9149 ± 0.0013 Å
• α: 90°
• β: 110.582 ± 0.008°
• γ: 90°
• Cell volume: 1476.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No