Skip to main content
. 2020 Aug 7;5(Pt 8):x201060. doi: 10.1107/S2414314620010603

Table 2. Experimental details.

Crystal data
Chemical formula C25H25N3O4
M r 431.48
Crystal system, space group Orthorhombic, P212121
Temperature (K) 100
a, b, c (Å) 7.8041 (6), 22.8879 (16), 25.2670 (16)
V3) 4513.2 (5)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.55 × 0.10 × 0.08
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Sheldrick, 1996)
T min, T max 0.370, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 21010, 11096, 6150
R int 0.118
(sin θ/λ)max−1) 0.667
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.069, 0.136, 0.93
No. of reflections 11096
No. of parameters 591
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.24, −0.29

Computer programs: APEX2 and SAINT (Bruker, 2005), SHELXT (Sheldrick 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and SHELXTL (Sheldrick 2008).