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. 2023 Apr 14;79(Pt 5):458–464. doi: 10.1107/S2056989023003158

Table 2. Conformations (Å, °) of the DHF rings for compound 1 .

DHF ring r.m.s. deviation Largest deviation Angle between ring normals
C1–C4/O1 0.067 C4 −0.0936 (6)
C5–C8/O2 0.038 C8 −0.0521 (8) 82.18 (4) a
C9–C12/O3 0.034 C12 −0.0468 (7) 42.32 (4) a
C13–C16/O4 0.049 C16 −0.0679 (7) 45.01 (4) a
C17–C20/O5 0.054 C20 −0.0934 (6)
C21–C24/O6 0.050 C24 −0.0699 (7) 48.41 (6) b
C25–C28/O7 0.093 C28 0.1298 (9) 55.30 (6) b
C29–C32/O8 0.029 C32 −0.0397 (7) 81.77 (4) b

Notes: (a) compared to C1–C4/O1; (b) compared to C17–C20/O5.