%0 Journal Article %1 Gorelik2018 %A Gorelik, T. E. %A van de Streek, J. %A Meier, H. %A Andernach, L. %A Opatz, T. %A IUCr, %D 2018 %I International Union of Crystallography %J Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials %K crystal-structure litwatch single-crystal-three-dimensional-electron-diffraction triazine xrpd %N 3 %P 287--294 %R 10.1107/s2052520618006686 %T Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction %U http://dx.doi.org/10.1107/s2052520618006686 %V 74 %X The solid-state structure of star-shaped 2,4,6-tris­(E)-2-4-(di­methyl­amino)-phenylethenyl-1,3,5-triazine is determined from a powder sample by exploiting the respective strengths of single-crystal three-dimensional electron diffraction and powder X-ray diffraction data. The unit-cell parameters were determined from single crystal electron diffraction data. Using this information, the powder X-ray diffraction data were indexed, and the crystal structure was determined from the powder diffraction profile. The compound crystallizes in a noncentrosymmetric space group, P212121. The molecular conformation in the crystal structure was used to calculate the molecular dipole moment of 3.22 Debye, which enables the material to show nonlinear optical effects.

@article{Gorelik2018, abstract = {The solid-state structure of star-shaped 2,4,6-tris­{(E)-2-[4-(di­methyl­amino)-phenyl]ethenyl}-1,3,5-triazine is determined from a powder sample by exploiting the respective strengths of single-crystal three-dimensional electron diffraction and powder X-ray diffraction data. The unit-cell parameters were determined from single crystal electron diffraction data. Using this information, the powder X-ray diffraction data were indexed, and the crystal structure was determined from the powder diffraction profile. The compound crystallizes in a noncentrosymmetric space group, P212121. The molecular conformation in the crystal structure was used to calculate the molecular dipole moment of 3.22 Debye, which enables the material to show nonlinear optical effects.}, added-at = {2019-03-11T21:00:05.000+0100}, author = {Gorelik, T. E. and van de Streek, J. and Meier, H. and Andernach, L. and Opatz, T. and IUCr}, biburl = {https://www.bibsonomy.org/bibtex/23f731cb93ccf872b0feea5b349940d49/fairybasslet}, citeulike-article-id = {14597421}, citeulike-linkout-0 = {http://dx.doi.org/10.1107/s2052520618006686}, citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S2052520618006686}, day = 01, doi = {10.1107/s2052520618006686}, interhash = {06efd3e079092c2073cf8e65ea8d4b9d}, intrahash = {3f731cb93ccf872b0feea5b349940d49}, issn = {2052-5206}, journal = {Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials}, keywords = {crystal-structure litwatch single-crystal-three-dimensional-electron-diffraction triazine xrpd}, month = jun, number = 3, pages = {287--294}, posted-at = {2018-11-05 06:06:28}, priority = {2}, publisher = {International Union of Crystallography}, timestamp = {2019-03-11T21:06:37.000+0100}, title = {{Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction}}, url = {http://dx.doi.org/10.1107/s2052520618006686}, volume = 74, year = 2018 }