Crytallographic Calibrants: Lemniscular [26]/[28] Phyrins
Δ
r
(meso) 0.079Å (obs) 0.063Å (calc; MPW1PW91/6-31g(d,p) )
Δ
r
(meso) 0.015Å (obs) 0.003Å (calc; MPW1PW91/6-31g(d,p) )