Information card for entry 7032254

Structure parameters

• Formula: C56 H64 B F15 N2 O2
• Calculated formula: C56 H64 B F15 N2 O2
• SMILES: Fc1c(c(F)c(F)c(c1F)F)[B](CC1[N+](=CN(CCC1)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)(c1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(F)c(c1F)F.O(CC)CC.O(CC)CC
• Title of publication: Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.
• Authors of publication: Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15279 - 15282
• a: 12.3124 ± 0.0004 Å
• b: 15.5237 ± 0.0005 Å
• c: 15.686 ± 0.0004 Å
• α: 66.407 ± 0.003°
• β: 80.487 ± 0.002°
• γ: 89.507 ± 0.003°
• Cell volume: 2704.24 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0011
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No