Mapping structure–property relationships in a 6-oxo-verdazyl radical by variable pressure crystallography and density functional theory

Brookes, J.R.; Kumar, V.J.; Jones, I.M.; Summers, A.M.; Bird, S.A.; Low, P.J.; Moggach, S.A.; Spagnoli, D.

doi:10.1107/S2052520626006220

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 7
Changes in torsion angles T1, T2 and T3 with respect to an applied hydrostatic pressure (top), the definition of T1, T2 and T3 in pTolOV, atom numbering is consistent with the LP phase (bottom). Note: T1 and T2 are equal in the HP phase, hence the removal of T2 from the above plot from 2.73 to 3.31 GPa

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 82| Part 4| August 2026|

https://doi.org/10.1107/S2052520626006220

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