Raw Data for: "A tetracationic halogen bonding foldamer"

ESI-MS mass spectra from datx files can be opened using the Mass Express Software distributed by AdvionInterchim Scientific (advion.com/de/mass-express-software-download/), furthermore the spectra are given as cdf containers, which can be further converted using openMS or directly imported to OpenChrom . 1H NMR, 13C NMR, and 19F spectra were recorded with a Bruker AVIII 300, a Bruker AVIII 400, and a Bruker AV NEO 400 spectrometer at room temperature.

NMR FID files distributed via the *_row2_Analytic data*.zip files be opened using e.g. TopSpin. mnova files can be opened with MestReNova. IR spectra were recorded with a Shimadzu IR Affinity-1S spectrometer equipped with a Specac-Quest ATR unit. The ispd files containing the FT-IR data can be opened with LabSolutions IR Software from Shimadzu but are also given as pdf and txt files.

Liquid Injection Field Desorption/Ionization (LIFDI) data were recorded with JEOL JMS-T100GCv in Field Desorption (FD+) mode. For high resolution mass analysis we can only distribute the pdf files. The Crystal structure was determined using a Synergy dual source device, with a Cu microfocus sealed tube (Cu-Kα) using mirror monochromators and a HyPix-6000HE: Hybrid photon counting X-ray detector.

Crystals were mounted in Hampton CryoLoops using silicone grease. Raw data from crystal structure analysis can be imported in Rigakus CrysAlisPRo Software. The Solvolysis.zip contains all NMR sprectra for the benzhydryl solvolysis kinetics.