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. 2021 Jul 16;77(Pt 8):809–813. doi: 10.1107/S2056989021007167

Table 1. Ring puckering parameters.

Compound PL358 (I) SY20C174 (II)
C8–C12 Q2 = 0.4847 (18) Å Q2 = 0.441 (5) Å
Envelope conformation φ2 = 39.4 (2)° φ2 = 41.4 (6)°
C9/C14–C17/C10 Q = 0.5519 (17) Å | Θ = 9.45 (18) ° | φ2 = 53.2 (11)° Q = 0.556 (4) Å | Θ = 13.4 (4) ° | φ2 = 37 (2)°
Chair conformation Q2 = 0.0908 (17) Å | Q3 = 54.4444 (17) Å | φ2 = 53.2 (11)° Q2 = 0.128 (4) Å | Q3 = 0.541 (4) Å | φ2 = 37 (2)°
C16/C18–C21/C17 Q = 0.5450 (17) Å | Θ = 175.11 (18) ° | φ2 = 170 (2)° Q = 0.538 (4) Å | Θ = 173.2 (4) ° | φ2 = 196 (4)°
Chair conformation Q2 = 0.0457 (17) Å | Q3 = −0.5431 (17) Å | φ2 = 170 (2)° Q2 = 0.0065 (4) Å | Q3 = −0.534 (4) Å | φ2 = 196 (4)°
C18/C19/C23–C26 Q = 0.4724 (18) Å | Θ = 52.7 (2) ° | φ2 = 266.8 (3)° Q = 0.454 (4) Å | Θ = 55.6 (5) ° | φ2 = 281.9 (7)°
Half-chair conformation Q2 = 0.3756 (18) Å | Q3 = 0.2865 (18) Å | φ2 = 266.8 (3)° Q2 = 0.375 (4) Å | Q3 = 0.256 (4) Å | φ2 = 281.9 (7)°