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Figure 7
Atomic displacement ellipsoid plot of xylitol for (top) ReCrystal/0.8 Å (def2-TZVP/PBE) and (bottom) HAR [NoSpherA2/def2-TZVP/PBE/ORCA (version 5.0.3)]; ellipsoid representation at the 50% probability level.

IUCrJ
Volume 12| Part 3| May 2025| Pages 322-333
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525002040