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. 2024 Apr 26;9(Pt 4):x240346. doi: 10.1107/S2414314624003468

Table 3. Experimental details.

Crystal data
Chemical formula C15H22O
M r 218.34
Crystal system, space group Monoclinic, C2/c
Temperature (K) 100
a, b, c (Å) 25.6112 (6), 9.7565 (2), 10.3664 (2)
β (°) 95.169 (2)
V3) 2579.78 (10)
Z 8
Radiation type Cu Kα
μ (mm−1) 0.52
Crystal size (mm) 0.35 × 0.10 × 0.01
 
Data collection
Diffractometer XtaLAB Synergy R, DW system, HyPix-Arc 150
Absorption correction Gaussian (CrysAlis PRO; Rigaku OD, 2023)
T min, T max 0.601, 1.000
No. of measured, independent and observed [I ≥ 2u(I)] reflections 13789, 2579, 2244
R int 0.026
(sin θ/λ)max−1) 0.624
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.029, 0.077, 1.07
No. of reflections 2579
No. of parameters 343
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.15, −0.19

Computer programs: CrysAlis PRO (Rigaku OD, 2023), SHELXT (Sheldrick, 2015), olex2.refine (Bourhis et al., 2015) and OLEX2 (Dolomanov et al., 2009).