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. 2022 Aug 18;78(Pt 9):922–925. doi: 10.1107/S2056989022007848

Table 2. Experimental details.

Crystal data
Chemical formula C21H22N2O4
M r 366.40
Crystal system, space group Monoclinic, P21/c
Temperature (K) 150
a, b, c (Å) 13.8608 (5), 8.8352 (3), 15.5411 (6)
β (°) 98.468 (1)
V3) 1882.46 (12)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.46 × 0.37 × 0.26
 
Data collection
Diffractometer Bruker D8 QUEST PHOTON 3
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.95, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 101980, 6815, 5846
R int 0.035
(sin θ/λ)max−1) 0.759
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.129, 1.07
No. of reflections 6815
No. of parameters 254
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.42, −0.31

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