Skip to main content
. 2018 Oct 16;74(Pt 11):1580–1583. doi: 10.1107/S2056989018014160

Table 3. Experimental details.

Crystal data
Chemical formula C26H22N2O2
M r 394.45
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 8.654 (5), 10.923 (6), 10.964 (5)
α, β, γ (°) 85.85 (2), 82.38 (2), 74.57 (3)
V3) 989.4 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.55 × 0.39 × 0.30
 
Data collection
Diffractometer Bruker PHOTON 100 CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.548, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 37627, 4929, 3077
R int 0.101
(sin θ/λ)max−1) 0.669
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.069, 0.190, 1.03
No. of reflections 4929
No. of parameters 277
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.72, −0.35

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), shelXle (Hübschle et al., 2011), SHELXTL (Sheldrick, 2008), PLATON (Spek, 2009), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).