Information card for entry 4068377

Structure parameters

• Formula: C33 H12 B2 Cl2 F20 O3
• Calculated formula: C33 H12 B2 Cl2 F20 O3
• SMILES: [B]1([OH2][B]2(c3c1c(F)c(F)c(F)c3F)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c21)(OC)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c1.ClCCl.OC
• 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: 14.283 ± 0.007 Å
• b: 14.944 ± 0.007 Å
• c: 16.46 ± 0.006 Å
• α: 90°
• β: 96.72 ± 0.03°
• γ: 90°
• Cell volume: 3489 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No