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. 2018 Jan 1;74(Pt 1):59–61. doi: 10.1107/S2056989017017972

Table 2. Experimental details.

Crystal data
Chemical formula C17H13NO2
M r 263.28
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 15.353 (3), 6.3143 (13), 26.941 (6)
β (°) 96.446 (4)
V3) 2595.3 (9)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.43 × 0.14 × 0.06
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Bruker, 2003)
T min, T max 0.707, 0.995
No. of measured, independent and observed [I > 2σ(I)] reflections 21411, 5293, 3646
R int 0.089
(sin θ/λ)max−1) 0.625
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.080, 0.147, 1.11
No. of reflections 5293
No. of parameters 369
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.25, −0.30

Computer programs: SMART and SAINT-Plus (Bruker, 2003), SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008), SHELXL2017 (Sheldrick, 2015), PLATON (Spek, 2009) and publCIF (Westrip, 2010).