Information card for entry 2244239

Structure parameters

• Chemical name: 3-Bromo-2,2-bis(bromomethyl)propan-1-ol
• Formula: C20 H36 Br12 O4
• Calculated formula: C20 H36 Br12 O4
• Title of publication: Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol.
• Authors of publication: Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 323 - 327
• a: 8.7763 ± 0.0002 Å
• b: 9.4409 ± 0.0003 Å
• c: 21.2951 ± 0.0006 Å
• α: 96.762 ± 0.001°
• β: 92.198 ± 0.001°
• γ: 90.552 ± 0.001°
• Cell volume: 1750.69 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes