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. 2020 Apr 21;76(Pt 5):710–714. doi: 10.1107/S2056989020005289

Table 2. Experimental details.

Crystal data
Chemical formula C23H22BNO2
M r 355.22
Crystal system, space group Orthorhombic, P c a21
Temperature (K) 100
a, b, c (Å) 17.8540 (11), 11.5361 (6), 18.5366 (12)
V3) 3817.9 (4)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.38 × 0.2 × 0.07
 
Data collection
Diffractometer Bruker–Nonius Kappa APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2015)
T min, T max 0.703, 0.733
No. of measured, independent and observed [I > 2σ(I)] reflections 60829, 8781, 7379
R int 0.047
(sin θ/λ)max−1) 0.652
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.039, 0.086, 1.03
No. of reflections 8781
No. of parameters 491
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.25, −0.24

Computer programs: APEX2 and SAINT (Bruker, 2015), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).