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. 2016 Apr 8;72(Pt 5):648–651. doi: 10.1107/S2056989016005028

Table 2. Experimental details.

Crystal data
Chemical formula C23H14ClFO
M r 360.79
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 9.2846 (9), 9.8777 (10), 10.3624 (11)
α, β, γ (°) 94.364 (2), 113.3517 (19), 92.866 (2)
V3) 866.63 (15)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.24
Crystal size (mm) 0.43 × 0.39 × 0.11
 
Data collection
Diffractometer Bruker SMART APEXII DUO CCD
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.905, 0.974
No. of measured, independent and observed [I > 2σ(I)] reflections 15408, 3917, 2973
R int 0.027
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.159, 1.04
No. of reflections 3917
No. of parameters 235
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.27, −0.38

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXTL (Sheldrick, 2008) and SHELXL2014 (Sheldrick, 2015).