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. 2015 Jan 17;71(Pt 2):161–164. doi: 10.1107/S205698901500047X

Table 2. Experimental details.

Crystal data
Chemical formula C13H10O2
M r 198.21
Crystal system, space group Monoclinic, P21/c
Temperature (K) 130
a, b, c () 9.5296(7), 10.1383(7), 11.1595(7)
() 103.922(6)
V (3) 1046.49(13)
Z 4
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.50 0.45 0.32
 
Data collection
Diffractometer Agilent Xcalibur Atlas Gemini
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2011)
T min, T max 0.781, 1
No. of measured, independent and observed [I > 2(I)] reflections 8114, 2553, 1755
R int 0.019
(sin /)max (1) 0.691
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.045, 0.115, 1.04
No. of reflections 2553
No. of parameters 136
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.11, 0.17

Computer programs: CrysAlis PRO (Agilent, 2011), SHELXS2013 and SHELXL2013 (Sheldrick, 2008, 2015), ORTEP-3 for Windows and WinGX (Farrugia, 2012), Mercury (Macrae et al., 2006) and DIAMOND (Brandenburg, 2012).