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. 2021 Jan 29;77(Pt 2):195–199. doi: 10.1107/S2056989021000785

Table 4. Experimental details.

Crystal data
Chemical formula C28H21N3O
M r 415.48
Crystal system, space group Orthorhombic, P212121
Temperature (K) 296
a, b, c (Å) 10.7038 (3), 11.6096 (4), 17.5182 (5)
V3) 2176.93 (11)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.25 × 0.15 × 0.15
 
Data collection
Diffractometer Bruker D8 QUEST PHOTON-III CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.973, 0.981
No. of measured, independent and observed [I > 2σ(I)] reflections 39899, 7913, 4972
R int 0.081
(sin θ/λ)max−1) 0.758
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.054, 0.123, 1.01
No. of reflections 7913
No. of parameters 296
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.27, −0.17

Computer programs: APEX3 (Bruker, 2018), SAINT (Bruker, 2013), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).