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O
H
OH
OH
CO
2
H
O
O
6
7
CO
2
H
O
H
O
H
CO
2
H
O
O
8
9
Fig. 1.3
Photoisomerization-resistant analogues of ABA
(a)
(b)
crystal
lower-energy half-chair
(c)
PYR1-bound ABA crystal
higher-energy half-chair
Fig. 1.4
Conformation of ABA.
a
Crystal structure determined from crystals grown in ethanol
solution,
b
preferred and non-preferred half-chairs calculated in B3LYP/6-31G(d) level of theory,
and
c
the extracted structure from a PYR1-ABA crystal (PDB code: 3K90)
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