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. 2017 Sep 5;73(Pt 10):1414–1416. doi: 10.1107/S2056989017011987

Table 2. Experimental details.

Crystal data
Chemical formula C20H28O4
M r 332.42
Crystal system, space group Monoclinic, P21
Temperature (K) 296
a, b, c (Å) 10.2570 (18), 7.6151 (13), 11.503 (2)
β (°) 101.110 (3)
V3) 881.6 (3)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.15 × 0.12 × 0.10
 
Data collection
Diffractometer Bruker APEXII CCD
No. of measured, independent and observed [I > 2σ(I)] reflections 6669, 3463, 3163
R int 0.024
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.030, 0.083, 1.03
No. of reflections 3319
No. of parameters 225
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.18, −0.11
Absolute structure Flack x determined using 1341 quotients [(I +) − (I )]/[(I +) + (I )] (Parsons et al., 2013)
Absolute structure parameter 0.2 (3)

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009).