Table 1.
Crystal data and structure refinement of D2AAK1_3.
Formula | C22H24N2O |
Formula weight | 332.43 |
Temperature K | 293(2) |
Crystal system | orthorhombic |
Space group | P212121 |
a (Å) | 5.9600(4) |
b (Å) | 15.0986(9) |
c (Å) | 16.1571(9) |
Volume (Å3) | 1814.5(2) |
Z | 4 |
Calculated density (g cm−3) | 1.217 |
μ (mm−1) | 0.075 |
Absorption correction | multi-scan |
F(000) | 712 |
Crystal size (mm) | 0.50 × 0.20 × 0.20 |
θ range (°) | 2.698 to 27.103 |
Index ranges | −7 ≤ h ≤ 7 −19 ≤ k ≤ 19 −25 ≤ l ≤ 18 |
Reflections collected/unique | 14,278/3993 |
Rint | 0.0442 |
Data/restraints/parameters | 3993/0/231 |
GooF on F2 | 1.000 |
Final R indices[I > 2σ(I)] | R1 = 0.0437, wR2 = 0.0887 |
R indices(all data) | R1 = 0.0745, wR2 = 0.1019 |
Largest diff. peak/hole, e Å−3 | 0.156/−0.111 |