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. 2018 May 22;74(Pt 6):835–839. doi: 10.1107/S2056989018007429

Table 2. Experimental details.

Crystal data
Chemical formula C24H18O4·2C3H7NO
M r 516.57
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 294
a, b, c (Å) 6.0569 (5), 9.5801 (5), 11.9941 (8)
α, β, γ (°) 72.867 (2), 84.649 (2), 86.710 (2)
V3) 661.86 (8)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.25 × 0.24 × 0.10
 
Data collection
Diffractometer Bruker APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.961, 0.991
No. of measured, independent and observed [I > 2σ(I)] reflections 21963, 3039, 1944
R int 0.043
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.057, 0.177, 1.07
No. of reflections 3039
No. of parameters 178
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.17, −0.19

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), Mercury (Macrae et al., 2006) and PLATON (Spek, 2009).