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. 2017 Jan 1;73(Pt 1):81–84. doi: 10.1107/S2056989016019927

Table 2. Experimental details.

Crystal data
Chemical formula C18H26O4
M r 306.39
Crystal system, space group Monoclinic, P21
Temperature (K) 298
a, b, c (Å) 6.2927 (7), 17.9903 (19), 7.2991 (8)
β (°) 95.216 (4)
V3) 822.89 (16)
Z 2
Radiation type Cu Kα
μ (mm−1) 0.69
Crystal size (mm) 0.40 × 0.35 × 0.30
 
Data collection
Diffractometer Bruker D8 Venture/Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.687, 0.754
No. of measured, independent and observed [I > 2σ(I)] reflections 27011, 3232, 3135
R int 0.026
(sin θ/λ)max−1) 0.618
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.027, 0.071, 1.08
No. of reflections 3232
No. of parameters 204
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.13, −0.10
Absolute structure Flack x determined using 1475 quotients [(I +)−(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter 0.04 (4)

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS2014 (Sheldrick, 2008, 2015), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).