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. 2024 Feb 29;80(Pt 3):339–342. doi: 10.1107/S2056989024001804

Table 1. Experimental details.

Crystal data
Chemical formula C25H18N4
M r 374.43
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 173
a, b, c (Å) 16.8662 (15), 12.8555 (11), 18.7561 (16)
V3) 4066.8 (6)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.07
Crystal size (mm) 0.35 × 0.32 × 0.03
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.975, 0.998
No. of measured, independent and observed [I > 2σ(I)] reflections 23265, 4170, 2586
R int 0.057
(sin θ/λ)max−1) 0.626
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.125, 1.02
No. of reflections 4170
No. of parameters 264
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.39, −0.19

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015) and SHELXTL (Sheldrick, 2008).