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. 2025 Mar 7;81(Pt 4):188–192. doi: 10.1107/S2053229625001706

Table 1. Experimental details.

Crystal data
Chemical formula C18H27NO3
M r 305.40
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 12.2165 (3), 14.7791 (4), 9.4719 (2)
β (°) 94.035 (2)
V3) 1705.89 (8)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.64
Crystal size (mm) 0.08 × 0.06 × 0.03
 
Data collection
Diffractometer Rigaku XtaLAB Synergy-S Dualflex diffractometer with an Eiger2 R CdTe 1M detector
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2024)
Tmin, Tmax 0.683, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 18993, 3508, 2644
R int 0.054
(sin θ/λ)max−1) 0.630
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.044, 0.112, 1.04
No. of reflections 3508
No. of parameters 307
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.20, −0.21

Computer programs: CrysAlis PRO (Rigaku OD, 2024), SUPERFLIP (Palatinus & Chapuis, 2007; Palatinus & van der Lee, 2008; Palatinus et al., 2012), SHELXL2019 (Sheldrick, 2015), DIAMOND (Brandenburg, 2018), OLEX2 (Dolomanov et al., 2009), Mercury (Macrae et al., 2020) and publCIF (Westrip, 2010).