X-ray diffraction data for "Formation of Nucleophilic Allylboranes from Molecular Hydrogen and Allenes Catalyzed by a Pyridonate Borane that Displays Frustrated Lewis Pair Reactivity"

Abstract

Raw X-ray diffraction images for the publication M. Hasenbeck, S. Ahles, A. Averdunk, J. Becker, U. Gellrich, Angew. Chem. Int. Ed. 2020, 59, 23885 "Formation of Nucleophilic Allylboranes from Molecular Hydrogen and Allenes Catalyzed by a Pyridonate Borane that Displays Frustrated Lewis Pair Reactivity" https://doi.org/10.1002/anie.202011790. File format is the Bruker sfrm frame format. The data can be processed with the SAINT program by BRUKER AXS or using alternative and/or open source tools as XDS ( http://xds.mpimf-heidelberg.mpg.de/ ) together with sfrmtools ( https://homepage.univie.ac.at/tim.gruene/research/programs/conv/sfrmtools/ ) or FabIO ( Knudsen, E. B., Sorensen, H. O., Wright, J. P., Goret, G. & Kieffer, J. (2013). J. Appl. Cryst. 46, 537-539. ). FabIO provides the following information about the file format: "The bruker format uses 80 char lines in key : value format. In the first 5125 bytes of the header there should be a HDRBLKS key, whose value denotes how many 512 byte blocks are in the total header. The header is always n5*512 bytes, otherwise it wont contain whole key: value pairs. Data is stored in three blocks: 1. data (uint8) 2. overflow (uint32) 3. underflow (int32). The blocks are zero padded to a multiple of 16 bits.