Information card for entry 4031359

Structure parameters

• Formula: C6 H4 B F9 N2 S
• Calculated formula: C6 H4 B F9 N2 S
• SMILES: S(F)(F)(F)(F)(F)c1ccc([N+]#N)cc1.[B](F)(F)(F)[F-]
• Title of publication: Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.
• Authors of publication: Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 1494 - 1502
• a: 10.8224 ± 0.0019 Å
• b: 17.875 ± 0.003 Å
• c: 34.803 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6733 ± 2 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.345
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No