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. 2020 Feb 18;76(Pt 3):387–391. doi: 10.1107/S2056989020002054

Table 2. Experimental details.

Crystal data
Chemical formula C27H18N2O3
M r 418.43
Crystal system, space group Monoclinic, C c
Temperature (K) 293
a, b, c (Å) 9.9690 (5), 24.8828 (15), 8.3049 (4)
β (°) 94.356 (1)
V3) 2054.13 (19)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.54 × 0.38 × 0.23
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker 2015)
T min, T max 0.783, 0.942
No. of measured, independent and observed [I > 2σ(I)] reflections 39335, 5995, 5046
R int 0.033
(sin θ/λ)max−1) 0.704
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.114, 1.04
No. of reflections 5995
No. of parameters 289
No. of restraints 2
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.19, −0.15
Absolute structure Flack x determined using 2241 quotients [(I +)−(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter −0.1 (3)

Computer programs: APEX2 and SAINT (Bruker 2015), SHELXS97 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and Mercury (Macrae et al., 2020).