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. 2016 Aug 5;72(Pt 9):1257–1259. doi: 10.1107/S2056989016012469

Table 2. Experimental details.

Crystal data
Chemical formula C35H30N4O3
M r 554.63
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 10.1194 (4), 10.8066 (4), 14.9948 (6)
α, β, γ (°) 110.57 (2), 97.10 (2), 106.17 (2)
V3) 1429.1 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.35 × 0.30 × 0.25
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.719, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 42242, 8042, 4733
R int 0.034
(sin θ/λ)max−1) 0.717
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.140, 1.03
No. of reflections 8042
No. of parameters 383
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.23, −0.20

Computer programs: APEX2 and SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009) and publCIF (Westrip, 2010).