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. 2024 Feb 20;80(Pt 3):300–304. doi: 10.1107/S2056989024001518

Table 4. Experimental details.

Crystal data
Chemical formula C31H24N4O2
M r 484.54
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 120
a, b, c (Å) 8.8038 (6), 10.2277 (7), 14.0937 (10)
α, β, γ (°) 90.262 (1), 96.630 (1), 108.395 (1)
V3) 1195.00 (14)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.41 × 0.34 × 0.10
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.84, 0.99
No. of measured, independent and observed [I > 2σ(I)] reflections 22697, 6292, 4672
R int 0.029
(sin θ/λ)max−1) 0.685
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.129, 1.02
No. of reflections 6292
No. of parameters 430
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.40, −0.22

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).