Information card for entry 2240637

Structure parameters

• Chemical name: Bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate
• Formula: C25 H33 Br Cl3 O2 P
• Calculated formula: C25 H33 Br Cl3 O2 P
• Title of publication: Crystal structure of bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate
• Authors of publication: Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o339 - o340
• a: 23.638 ± 0.0018 Å
• b: 13.6273 ± 0.001 Å
• c: 18.1817 ± 0.0013 Å
• α: 90°
• β: 108.702 ± 0.001°
• γ: 90°
• Cell volume: 5547.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes