Skip to main content
. 2017 Oct 6;73(Pt 11):1622–1625. doi: 10.1107/S2056989017014165

Table 2. Experimental details.

Crystal data
Chemical formula C28H28O2
M r 396.50
Crystal system, space group Orthorhombic, P n a21
Temperature (K) 100
a, b, c (Å) 8.5797 (7), 14.7450 (13), 16.7720 (14)
V3) 2121.8 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.24 × 0.22 × 0.21
 
Data collection
Diffractometer Bruker SMART CCD 1K area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.917, 0.984
No. of measured, independent and observed [I > 2σ(I)] reflections 23380, 6113, 4907
R int 0.050
(sin θ/λ)max−1) 0.703
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.132, 1.05
No. of reflections 6113
No. of parameters 271
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.33, −0.24

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2009), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), PLATON (Spek, 2009), publCIF (Westrip, 2010).