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. 2018 Apr 12;74(Pt 5):660–663. doi: 10.1107/S2056989018005455

Table 2. Experimental details.

Crystal data
Chemical formula C32H26ClN3O2
M r 520.01
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 6.7722 (4), 11.5017 (8), 16.6305 (11)
α, β, γ (°) 80.224 (3), 84.618 (3), 81.077 (3)
V3) 1258.09 (14)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.19
Crystal size (mm) 0.23 × 0.21 × 0.19
 
Data collection
Diffractometer Bruker Kappa APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.967, 0.974
No. of measured, independent and observed [I > 2σ(I)] reflections 25368, 4659, 3577
R int 0.035
(sin θ/λ)max−1) 0.606
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.047, 0.133, 1.05
No. of reflections 4659
No. of parameters 347
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.37, −0.46

Computer programs: APEX2 and SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009).