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. 2019 Oct 3;75(Pt 11):1578–1581. doi: 10.1107/S205698901900896X

Table 2. Experimental details.

Crystal data
Chemical formula C15H24O3
M r 252.34
Crystal system, space group Hexagonal, P63 c m
Temperature (K) 120
a, c (Å) 9.9966 (12), 7.9461 (10)
V3) 687.68 (19)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.30 × 0.25 × 0.20
 
Data collection
Diffractometer Bruker APEXII DUO CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.701, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 7859, 671, 645
R int 0.026
(sin θ/λ)max−1) 0.681
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.108, 1.03
No. of reflections 671
No. of parameters 35
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.22
Absolute structure Refined as an inversion twin

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXT (Sheldrick, 2015a ) and SHELXL2014/6 (Sheldrick, 2015b ).