Skip to main content
. 2019 Mar 26;75(Pt 4):506–511. doi: 10.1107/S2056989019003827

Table 3. Experimental details.

Crystal data
Chemical formula C22H22O
M r 302.39
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 9.8037 (9), 8.9815 (9), 18.8946 (17)
β (°) 90.985 (4)
V3) 1663.5 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.07
Crystal size (mm) 0.52 × 0.28 × 0.06
 
Data collection
Diffractometer Bruker D8 VENTURE
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.735, 0.996
No. of measured, independent and observed [I > 2σ(I)] reflections 15325, 3808, 2471
R int 0.115
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.070, 0.171, 1.12
No. of reflections 3808
No. of parameters 211
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.30, −0.26

Computer programs: APEX3 (Bruker, 2015), SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg & Berndt, 2001) and CRYSCALc (T. Roisnel, local program, version of 2015).