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. 2017 Jan 1;73(Pt 1):13–16. doi: 10.1107/S2056989016018934

Table 2. Experimental details.

Crystal data
Chemical formula C34H26F2O6
M r 568.55
Crystal system, space group Monoclinic, P21/c
Temperature (K) 200
a, b, c (Å) 16.2618 (7), 11.6708 (5), 14.7359 (7)
β (°) 96.945 (2)
V3) 2776.2 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.63 × 0.29 × 0.15
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.894, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 38582, 6911, 5302
R int 0.020
(sin θ/λ)max−1) 0.668
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.106, 1.01
No. of reflections 6911
No. of parameters 379
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.32, −0.39

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXT2014/7 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ) and PLATON (Spek, 2009).