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. 2018 Nov 22;74(Pt 12):1867–1871. doi: 10.1107/S2056989018016122

Table 2. Experimental details.

Crystal data
Chemical formula C32H26F4N2O
M r 530.55
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c (Å) 13.5712 (8), 9.5161 (6), 20.1543 (13)
β (°) 99.357 (2)
V3) 2568.2 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.15 × 0.10 × 0.10
 
Data collection
Diffractometer Bruker Kappa APEX3 CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.711, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 45339, 4510, 3456
R int 0.039
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.042, 0.117, 1.08
No. of reflections 4510
No. of parameters 356
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.17, −0.23

Computer programs: APEX3, SAINT and XPREP (Bruker, 2016), SHELXT2014 (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).