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. 2018 Jul 13;74(Pt 8):1087–1092. doi: 10.1107/S205698901800974X

Table 3. Experimental details.

  (I) (II)
Crystal data
Chemical formula C24H18O2 C24H17FO2
M r 338.38 356.37
Crystal system, space group Monoclinic, P21/c Triclinic, P Inline graphic
Temperature (K) 294 296
a, b, c (Å) 9.0554 (8), 17.4260 (15), 12.9217 (9) 8.6646 (5), 9.5752 (5), 11.5636 (6)
α, β, γ (°) 90, 119.916 (5), 90 100.593 (2), 105.443 (2), 92.422 (2)
V3) 1767.3 (3) 904.76 (9)
Z 4 2
Radiation type Mo Kα Mo Kα
μ (mm−1) 0.08 0.09
Crystal size (mm) 0.60 × 0.23 × 0.15 0.99 × 0.31 × 0.25
 
Data collection
Diffractometer Bruker SMART APEXII DUO CCD area-detector Bruker SMART APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2009) Multi-scan (SADABS; Bruker, 2009)
No. of measured, independent and observed [I > 2σ(I)] reflections 30614, 4249, 2916 34988, 5394, 3307
R int 0.045 0.045
(sin θ/λ)max−1) 0.661 0.711
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.054, 0.146, 1.08 0.059, 0.183, 1.02
No. of reflections 4249 5394
No. of parameters 236 245
H-atom treatment H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.17, −0.19 0.27, −0.20

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXL2014 (Sheldrick, 2014), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).