Information card for entry 2213499

Structure parameters

• Chemical name: cis-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-bis[4- (trifluoromethyl)phenyl]ethene‒ cis-2-(1,3,2-benzodioxaborolan-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan- 2-yl)-1,2-bis[4-(trifluoromethyl)phenyl]ethene‒hexane (1/1/1)
• Formula: C62 H70 B4 F12 O8
• Calculated formula: C59 H56 B4 F12 O8
• Title of publication: Solid solution of <i>cis</i>-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-bis[4-(trifluoromethyl)phenyl]ethene‒<i>cis</i>-2-(1,3,2-benzodioxaborolan-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-bis[4-(trifluoromethyl)phenyl]ethene‒hexane solvate (1/1/1)
• Authors of publication: Bramham, George; Batsanov, Andrei S.; Marder, Todd B.; Norman, Nicholas C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2367 - o2369
• a: 16.598 ± 0.002 Å
• b: 6.4631 ± 0.0005 Å
• c: 28.535 ± 0.003 Å
• α: 90°
• β: 104.25 ± 0.01°
• γ: 90°
• Cell volume: 2966.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes