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Table 1 Crystallographic data and structure refinement for 3

From: Synthesis, characterization, and evaluation of a novel inhibitor of WNT/β-catenin signaling pathway

Formula C24H22N2O2
FW 370.44
Crystal system, Space group Triclinic, P-1
T, K 293 (2)
a (Å) 11.7328 (4)
b (Å) 12.7965 (4)
c (Å) 15.5339 (5)
A (°) 71.355 (2)
β (°) 89.983 (2)
γ (°) 68.099 (2)
V, Å3 2031.50 (11)
Z 2
DCalc, Mg/m3 1.211
μ, mm-1 0.078
θ range, ° 1.89~24.52
Ranges of indices −13 ≤ h ≤ 13, -14 ≤ k ≤14, -18 ≤ l ≤18
Total reflections/unique (R int )/observed 31926/6750 (0.0315)/5079
Data/restraints/parameters 6750/0/505
Goodness of fit on F2 1.094
(∆ /σ)max 0.004
ρ, e · Å-3 × 10-3 0.310, -0.338
Ra, wRb 0.0659, 0.0863
  1. a, R = Σ║F o │-│F c ║/∑│F o │; b, wR = {[Σw(F o 2-F c 2)2]/[Σw(F o 2)2]}1/2; w = 1/[σ2(F o 2) + (0.2000P)2 + 0.0000P], where P = (F o 2 + 2F c 2)/3.