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Figure 1
If undetected, rotational disorder can lead to erroneous properties derived from experimental CD studies. Useful for detecting it are experiment-minus-invariom difference densities such as the one shown above for 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile. Green (positive) and red (negative) iso-surface meshes of the Fourier difference EDD at 0.1 e Å−3.

IUCrJ
Volume 1| Part 6| September 2014| Pages 457-469
ISSN: 2052-2525
doi:10.1107/S2052252514018867