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. 2023 Jun 2;79(Pt 7):605–609. doi: 10.1107/S2056989023004772

Table 2. Experimental details.

Crystal data
Chemical formula C16H22O2
M r 246.33
Crystal system, space group Monoclinic, P2/c
Temperature (K) 293
a, b, c (Å) 10.4134 (2), 6.9167 (2), 20.4801 (5)
β (°) 90.308 (2)
V3) 1475.09 (6)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.56
Crystal size (mm) 0.30 × 0.24 × 0.15
 
Data collection
Diffractometer XtaLAB Synergy, Single source at home/near, HyPix3000
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2020)
T min, T max 0.960, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 13939, 2866, 2161
R int 0.038
(sin θ/λ)max−1) 0.615
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.129, 1.07
No. of reflections 2866
No. of parameters 166
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.12, −0.16

Computer programs: CrysAlis PRO (Rigaku OD, 2020), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2019/2 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020) and publCIF (Westrip, 2010).