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. 2018 May 18;74(Pt 6):816–819. doi: 10.1107/S2056989018007259

Table 2. Experimental details.

Crystal data
Chemical formula C17H14O4
M r 282.28
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 7.8085 (10), 10.5171 (14), 17.124 (2)
β (°) 102.711 (2)
V3) 1371.8 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.40 × 0.40 × 0.40
 
Data collection
Diffractometer Bruker SMART APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2008)
No. of measured, independent and observed [I > 2σ(I)] reflections 16222, 4006, 3488
R int 0.019
(sin θ/λ)max−1) 0.703
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.039, 0.114, 1.03
No. of reflections 4006
No. of parameters 249
H-atom treatment Only H-atom coordinates refined
Δρmax, Δρmin (e Å−3) 0.37, −0.22

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXL2014/7 (Sheldrick, 2015), SHELXTL (Sheldrick, 2008), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).