Information card for entry 4068373

Structure parameters

• Formula: C18 H7 B F14 O3
• Calculated formula: C18 H7 B F14 O3
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B](c1c(F)c(F)c(F)c(F)c1F)(c1cc(c(F)c(F)c1F)F)[OH2].O.O
• Title of publication: Isobutene Polymerization Using Chelating Diboranes: Polymerization in Aqueous Suspension and Hydrocarbon Solution
• Authors of publication: Lewis, Stewart P.; Chai, Jianfang; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Fan, Cheng; Parvez, Masood; Piers, Warren E.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 249
• a: 10.067 ± 0.004 Å
• b: 10.232 ± 0.004 Å
• c: 10.945 ± 0.003 Å
• α: 88.83 ± 0.02°
• β: 75.85 ± 0.02°
• γ: 62.85 ± 0.02°
• Cell volume: 967.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No