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. 2020 Jan 1;76(Pt 1):72–76. doi: 10.1107/S2056989019016402

Table 2. Experimental details.

Crystal data
Chemical formula C15H10I2O
M r 460.03
Crystal system, space group Monoclinic, P21/c
Temperature (K) 200
a, b, c (Å) 7.2650 (7), 32.864 (3), 5.8446 (6)
β (°) 92.277 (2)
V3) 1394.3 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 4.50
Crystal size (mm) 0.57 × 0.29 × 0.08
 
Data collection
Diffractometer Bruker APEXII kappa CCD area detector
Absorption correction Numerical (SADABS; Bruker, 2016)
T min, T max 0.065, 0.189
No. of measured, independent and observed [I > 2σ(I)] reflections 18346, 3215, 2960
R int 0.021
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.073, 1.27
No. of reflections 3215
No. of parameters 164
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.14, −1.31

Computer programs: SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).