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. 2016 Jan 1;72(Pt 1):106–108. doi: 10.1107/S2056989015024512

Table 2. Experimental details.

Crystal data
Chemical formula C16H14O
M r 222.27
Crystal system, space group Orthorhombic, P n a21
Temperature (K) 100
a, b, c (Å) 13.8369 (9), 12.2202 (8), 6.8468 (4)
V3) 1157.72 (13)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.16 × 0.05 × 0.04
 
Data collection
Diffractometer Bruker D8 QUEST area detector
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.94, 1.00
No. of measured, independent and observed [I > 2σ(I)] reflections 5983, 2024, 1808
R int 0.038
(sin θ/λ)max−1) 0.601
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.081, 1.09
No. of reflections 2024
No. of parameters 154
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.16, −0.24

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), DIAMOND (Brandenburg, 2006), publCIF (Westrip, 2010) and PLATON (Spek, 2009).