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. 2018 Nov 13;8:16740. doi: 10.1038/s41598-018-34813-w

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Simulated unit cells built in a double-lattice-constant basis from GSAS. For clarity, only the benzothiazolyl moiety and projection on the ac plane are shown. (a) The projected 2 × 2 unit cells are identical without isomer-effect consideration. (b) By exchanging the S and N atoms in the benzothiazolyl moiety of the unit cells (indicated with a background of light-green color) to symbolize the change between S- and N-isomers, then the atoms at both ends of the green and red arrows become identical to lead constructive interference peaks as observed in Fig. 6(b).