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Figure 5
The best SA solution for 33 (black; disordered model) overlaid on the single-crystal structure (grey), showing the excellent agreement between corresponding half-occupancy phenyl ring positions. Inset: with the phenyl ring in the SA model set to full occupancy, the best solution (black) returned [\chi ^{2}_{\rm profile}/\chi ^{2}_{\rm Pawley}] = 4.4, with the ring positioned approximately midway between the disordered phenyl positions in the single-crystal structure (grey).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 38| Part 2| April 2005| Pages 249-259
https://doi.org/10.1107/S0021889804032662
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