Absolute structure determination using CRYSTALS

作者：Cooper Richard Ian^*; Watkin David John; Flack Howard D

来源：Acta Crystallographica Section C-Structural Chemistry, 2016, 72(4): 261-267.

DOI：10.1107/S2053229616003570

• Absolute structure
• Flack parameter
• least-squares refinement
• CRYSTALS

A study of post-refinement absolute structure determination using previously published data was carried out using the CRYSTALS software package. We show that absolute structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute structure determination and no interest in absolute structure as proposed by Flack [Chimia (2014), 68, 26-30].

• 出版日期2016-4