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. 2017 Mar 21;73(Pt 4):539–542. doi: 10.1107/S2056989017003863

Table 2. Experimental details.

Crystal data
Chemical formula C14H8Br2
M r 336.02
Crystal system, space group Monoclinic, C2/c
Temperature (K) 173
a, b, c (Å) 16.840 (3), 8.6112 (16), 8.1418 (15)
β (°) 103.735 (2)
V3) 1146.9 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 7.03
Crystal size (mm) 0.25 × 0.11 × 0.07
 
Data collection
Diffractometer Bruker D8 QUEST ECO
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.47, 0.64
No. of measured, independent and observed [I > 2σ(I)] reflections 4708, 1203, 1070
R int 0.033
(sin θ/λ)max−1) 0.634
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.030, 0.083, 1.06
No. of reflections 1203
No. of parameters 73
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.01, −0.35

Computer programs: APEX3 (Bruker, 2016), SAINT (Bruker, 2015), SHELXS2013 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).