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. 2023 Jul 4;79(Pt 8):686–689. doi: 10.1107/S2056989023005571

Table 2. Experimental details.

Crystal data
Chemical formula C38H28O6
M r 580.60
Crystal system, space group Monoclinic, P21/n
Temperature (K) 302
a, b, c (Å) 9.5219 (2), 10.1010 (2), 30.7050 (8)
β (°) 96.666 (1)
V3) 2933.26 (11)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.72
Crystal size (mm) 0.32 × 0.28 × 0.21
 
Data collection
Diffractometer Bruker SMART APEXII CCD
No. of measured, independent and observed [I > 2σ(I)] reflections 14741, 4775, 4298
R int 0.032
(sin θ/λ)max−1) 0.585
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.042, 0.142, 1.06
No. of reflections 4775
No. of parameters 397
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.24, −0.23

Computer programs: APEX3 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and Mercury (Macrae et al., 2020).