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. 2020 Apr 21;76(Pt 5):677–682. doi: 10.1107/S2056989020005228

Table 4. Experimental details.

Crystal data
Chemical formula C24H30Br2N4O2
M r 566.34
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 150
a, b, c (Å) 6.3291 (11), 9.8911 (17), 21.133 (4)
α, β, γ (°) 76.480 (2), 84.965 (3), 73.891 (2)
V3) 1235.4 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 3.31
Crystal size (mm) 0.48 × 0.23 × 0.20
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.23, 0.56
No. of measured, independent and observed [I > 2σ(I)] reflections 24139, 6598, 5337
R int 0.040
(sin θ/λ)max−1) 0.688
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.035, 0.095, 1.03
No. of reflections 6598
No. of parameters 293
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.72, −0.80

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and publCIF (Westrip, 2010).