Skip to main content
. 2016 Mar 4;72(Pt 4):460–462. doi: 10.1107/S2056989016003236

Table 2. Experimental details.

Crystal data
Chemical formula C15H24O2
M r 236.34
Crystal system, space group Monoclinic, P21
Temperature (K) 299
a, b, c (Å) 8.849 (4), 5.336 (1), 14.994 (5)
β (°) 99.21 (2)
V3) 698.9 (4)
Z 2
Radiation type Cu Kα
μ (mm−1) 0.56
Crystal size (mm) 0.50 × 0.18 × 0.15
 
Data collection
Diffractometer Enraf–Nonius CAD-4
No. of measured, independent and observed [I > 2σ(I)] reflections 1916, 1392, 1260
R int 0.052
(sin θ/λ)max−1) 0.597
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.060, 0.164, 1.10
No. of reflections 1392
No. of parameters 154
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.46, −0.22

Computer programs: CAD-4-PC (Enraf–Nonius, 1993), REDU4 (Stoe & Cie, 1987), SHELXS97 and SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009).