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. 2022 Jun 10;78(Pt 7):699–702. doi: 10.1107/S2056989022005904

Table 3. Experimental details.

Crystal data
Chemical formula C32H41N3O3SSi
M r 575.83
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 8.6752 (2), 8.8765 (2), 20.2299 (6)
α, β, γ (°) 78.107 (2), 87.922 (2), 89.512 (2)
V3) 1523.37 (7)
Z 2
Radiation type Cu Kα
μ (mm−1) 1.61
Crystal size (mm) 0.21 × 0.16 × 0.06
 
Data collection
Diffractometer XtaLAB Synergy R, HyPix-Arc 150
Absorption correction Gaussian (CrysAlis PRO; Rigaku, 2021)
T min, T max 0.555, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 28106, 5410, 4426
R int 0.047
(sin θ/λ)max−1) 0.597
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.108, 1.05
No. of reflections 5410
No. of parameters 368
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.56, −0.38

Computer programs: CrysAlis PRO (Rigaku, 2021), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020) and OLEX2 (Dolomanov et al., 2009).