Skip to main content
. 2016 Feb 13;72(Pt 3):328–330. doi: 10.1107/S2056989016002449

Table 2. Experimental details.

Crystal data
Chemical formula C18H18O6
M r 330.32
Crystal system, space group Monoclinic, C2/c
Temperature (K) 105
a, b, c (Å) 28.5800 (14), 4.0632 (2), 14.4806 (7)
β (°) 115.100 (1)
V3) 1522.78 (13)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.56 × 0.29 × 0.22
 
Data collection
Diffractometer Bruker PHOTON CCD
Absorption correction Multi-scan (SADABS; Bruker, 2007)
T min, T max 0.602, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 17902, 2053, 1819
R int 0.037
(sin θ/λ)max−1) 0.685
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.109, 1.10
No. of reflections 2053
No. of parameters 111
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.41, −0.24

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), WinGX (Farrugia, 2012), DIAMOND (Brandenburg, 2004), ChemBioDraw (Cambridge Soft, 2009) and publCIF (Westrip, 2010).