| dc.contributor | Gerbig, Dennis | |
| dc.contributor.author | Saito, Fumito | |
| dc.contributor.author | Becker, Jonathan | |
| dc.contributor.author | Schreiner, Peter R. | |
| dc.date.accessioned | 2021-03-03T14:12:29Z | |
| dc.date.available | 2021-03-03T14:12:29Z | |
| dc.date.issued | 2020-12-11 | |
| dc.identifier.uri | http://doi.org/10.1021/acs.orglett.0c03795 | |
| dc.identifier.uri | https://jlupub.ub.uni-giessen.de//handle/jlupub/52 | |
| dc.identifier.uri | http://dx.doi.org/10.22029/jlupub-8 | |
| dc.description.abstract | Raw X-ray diffraction images for the publication F. Saito, D. Gerbig, J. Becker, P. R. Schreiner, Org. Lett. 2021, 23, 1, 113–117 ( https://pubs.acs.org/doi/full/10.1021/acs.orglett.0c03795 ) 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 512*5 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 n*5*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. | de_DE |
| dc.description.sponsorship | This work was supported by the Alexander von Humboldt Foundation (postdoctoral fellowship to F.S.). | de_DE |
| dc.language.iso | de | de_DE |
| dc.relation | https://pubs.acs.org/doi/abs/10.1021/acs.orglett.0c03795 | de_DE |
| dc.subject | X-ray diffraction | de_DE |
| dc.subject | Single crystal diffraction | de_DE |
| dc.subject | Organic chemistry | de_DE |
| dc.subject.ddc | ddc:540 | de_DE |
| dc.title | X-ray diffraction data for "Breaking the Symmetry of a Meso Compound by Isotopic Substitution: Synthesis and Stereochemical Assignment of Monodeuterated cis-Perhydroazulene" | de_DE |
| dc.type | Image | de_DE |
| local.affiliation | FB 08 - Biologie und Chemie | de_DE |
