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. 2020 Mar 31;5(Pt 3):x200417. doi: 10.1107/S2414314620004174

Table 2. Experimental details.

Crystal data
Chemical formula C26H22O6
M r 430.43
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 6.1631 (6), 19.253 (2), 18.0743 (19)
β (°) 96.830 (1)
V3) 2129.5 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.4 × 0.12 × 0.06
 
Data collection
Diffractometer Bruker SMART APEX CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.964, 1.00
No. of measured, independent and observed [I > 2σ(I)] reflections 19788, 5132, 4358
R int 0.021
(sin θ/λ)max−1) 0.667
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.125, 1.02
No. of reflections 5132
No. of parameters 292
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.42, −0.23

Computer programs: SMART and SAINT (Bruker, 2006), SHELXS (Sheldrick, 2008), SHELXL (Sheldrick, 2015) and OLEX2 (Dolomanov et al., 2009).