Diffuse scattering and Monte Carlo simulations of cyclo-perhydrotriphenylene (PHTP) inclusion compounds, C6H12/C18H30
Mayo, Sheridan C; Proffen, Thomas; Bown, Mark; Welberry, Thomas
A recently developed method for fitting a Monte Carlo computer simulation model to observed single-crystal diffuse X-ray scattering has been applied to (hk0) scattering data obtained for the guest-host system (inclusion compound) cyclohexane-perhydrotripheny-lene (cyclohexane-PHTP), C6H12/C18H30, at 295 K. A simple two-dimensional model representing the projection of the structure down c was used, which allowed refinement of short-range order parameters describing the mutual orientation of...[Show more]
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|Source:||Journal of Applied Crystallography|
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