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 |