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. 2023 Nov 10;79(Pt 12):1132–1136. doi: 10.1107/S2056989023009623

Table 3. Experimental details.

Crystal data
Chemical formula C24H29F2NO4
M r 433.48
Crystal system, space group Orthorhombic, P c a21
Temperature (K) 100
a, b, c (Å) 11.9879 (7), 12.1807 (7), 15.4518 (9)
V3) 2256.3 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.27 × 0.24 × 0.16
 
Data collection
Diffractometer Bruker Quest D8 with Photon 2 detector
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.718, 0.744
No. of measured, independent and observed [I > 2σ(I)] reflections 103269, 9491, 7264
R int 0.080
(sin θ/λ)max−1) 0.826
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.107, 1.03
No. of reflections 9491
No. of parameters 289
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.32, −0.29
Absolute structure Flack x determined using 2721 quotients [(I +)−(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter 0.0 (2)

Computer programs: APEX2 and SAINT (Bruker, 2018), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).