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. 2020 Jan 31;76(Pt 2):281–287. doi: 10.1107/S2056989020001036

Table 5. Experimental details.

Crystal data
Chemical formula C24H27Cl2NOS
M r 448.42
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 150
a, b, c (Å) 8.9961 (3), 10.3755 (3), 13.2565 (4)
α, β, γ (°) 73.857 (1), 88.119 (1), 74.182 (1)
V3) 1142.32 (6)
Z 2
Radiation type Cu Kα
μ (mm−1) 3.52
Crystal size (mm) 0.20 × 0.14 × 0.08
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.54, 0.76
No. of measured, independent and observed [I > 2σ(I)] reflections 8788, 4246, 3772
R int 0.025
(sin θ/λ)max−1) 0.618
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.107, 1.02
No. of reflections 4246
No. of parameters 349
No. of restraints 14
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.32, −0.50

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).