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. 2022 Jun 28;78(Pt 7):742–745. doi: 10.1107/S2056989022006508

Table 2. Experimental details.

Crystal data
Chemical formula C26H30N2O4
M r 434.52
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 173
a, b, c (Å) 19.998 (3), 9.7472 (9), 23.540 (3)
V3) 4588.5 (10)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.22 × 0.19 × 0.16
 
Data collection
Diffractometer Stoe IPDS II two-circle
Absorption correction Multi-scan (X-AREA; Stoe & Cie, 2001)
T min, T max 0.664, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 18262, 4311, 2335
R int 0.081
(sin θ/λ)max−1) 0.609
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.060, 0.109, 0.95
No. of reflections 4311
No. of parameters 399
No. of restraints 547
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.16, −0.16

Computer programs: X-AREA (Stoe & Cie, 2001), SHELXS (Sheldrick, 2008), SHELXL2019/2 (Sheldrick, 2015), and XP in SHELXTL-Plus (Sheldrick, 2008).