Information card for entry 4031358

Structure parameters

• Formula: C6 H4 B F9 N2 S
• Calculated formula: C6 H4 B F9 N2 S
• SMILES: [B](F)(F)(F)[F-].c1(cc(ccc1)[N+]#N)S(F)(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: 16.798 ± 0.013 Å
• b: 7.072 ± 0.005 Å
• c: 9.043 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.3 ± 1.4 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.2938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No