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. 2021 Jul 23;77(Pt 8):824–828. doi: 10.1107/S2056989021007416

Table 4. Experimental details.

Crystal data
Chemical formula C20H15NO3
M r 317.33
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 8.2284 (3), 13.7693 (4), 13.9230 (4)
β (°) 96.155 (1)
V3) 1568.37 (9)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.44 × 0.35 × 0.32
 
Data collection
Diffractometer Bruker D8 QUEST PHOTON 3 diffractometer
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.93, 0.97
No. of measured, independent and observed [I > 2σ(I)] reflections 80207, 6020, 5304
R int 0.025
(sin θ/λ)max−1) 0.774
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.133, 1.03
No. of reflections 6020
No. of parameters 217
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.46, −0.21

Computer programs: APEX3 and SAINT (Bruker, 2020), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).