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. 2022 Jun 10;7(Pt 6):x220598. doi: 10.1107/S2414314622005983

Table 2. Experimental details.

Crystal data
Chemical formula C19H20N2O2
M r 308.37
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 150
a, b, c (Å) 8.9747 (7), 9.7306 (7), 11.8780 (8)
α, β, γ (°) 104.676 (3), 96.334 (3), 112.243 (3)
V3) 903.81 (12)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.07
Crystal size (mm) 0.46 × 0.41 × 0.13
 
Data collection
Diffractometer Bruker D8 QUEST PHOTON 3 diffractometer
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.93, 0.99
No. of measured, independent and observed [I > 2σ(I)] reflections 42215, 6214, 5222
R int 0.040
(sin θ/λ)max−1) 0.755
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.128, 1.05
No. of reflections 6214
No. of parameters 213
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.41, −0.19

Computer programs: APEX4 and SAINT (Bruker, 2021), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).