Information card for entry 7117381

Structure parameters

• Formula: C37 H35 B3 F20 N2 O
• Calculated formula: C37 H35 B3 F20 N2 O
• SMILES: Fc1c(F)c(F)c(F)c(c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.O(B([N+](CC)(CC)CC)C)[BH2][N](CC)(CC)CC
• Title of publication: Complete reductive cleavage of CO facilitated by highly electrophilic borocations
• Authors of publication: Liam D. Curless; Ewan R. Clark; Jessica Cid; Alessandro Del Grosso; Michael J. Ingleson
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10903
• a: 15.3212 ± 0.0004 Å
• b: 15.0201 ± 0.0006 Å
• c: 17.8636 ± 0.0006 Å
• α: 90°
• β: 98.982 ± 0.003°
• γ: 90°
• Cell volume: 4060.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No