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. 2015 Jan 1;71(Pt 1):35–37. doi: 10.1107/S2056989014026358

Table 2. Experimental details.

Crystal data
Chemical formula C21H16N2O
M r 312.36
Crystal system, space group Orthorhombic, F2d d
Temperature (K) 150
a, b, c () 8.1653(3), 27.6113(11), 29.6818(13)
V (3) 6691.9(5)
Z 16
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.55 0.29 0.24
 
Data collection
Diffractometer Bruker APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2006 ▸)
T min, T max 0.884, 0.982
No. of measured, independent and observed [I > 2(I)] reflections 8049, 3350, 3036
R int 0.032
(sin /)max (1) 0.649
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.039, 0.094, 1.06
No. of reflections 3350
No. of parameters 217
No. of restraints 1
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.18, 0.16

Computer programs: APEX2 and SAINT (Bruker, 2006 ▸), SIR97 (Altomare et al., 1999 ▸), SHELXL2014 (Sheldrick, 2008 ▸), Mercury (Macrae et al., 2008 ▸), CRYSCAL (T. Roisnel, local program), enCIFer (Allen et al., 2004 ▸), PLATON (Spek, 2009 ▸), WinGX (Farrugia, 2012 ▸) and publCIF (Westrip 2010 ▸).