Skip to main content

Table 1 Crystal data and structure refinement for 11

From: Synthesis, characterization, in vitro antimicrobial, and U2OS tumoricidal activities of different coumarin derivatives

Empirical formula C16H10O4
Formula weight 266.24
Temperature/K 295(2)
Crystal system orthorhombic
Space group Pca21
a/Å 25.668(2)
b/Å 4.0498(4)
c/Å 23.078(2)
α/° 90.00
β/° 90.00
γ/° 90.00
Volume/Å3 2399.0(3)
Z 8
ρcalcmg/mm3 1.474
m/mm−1 0.107
F(000) 1104.0
Crystal size/mm3 0.371 × 0.059 × 0.039
2Θ range for data collection 6.34 to 53.9°
Index ranges −31 ≤ h ≤ 24, −2 ≤ k ≤ 4, −28 ≤ l ≤ 27
Reflections collected 6018
Independent reflections 2356 [R(int) = 0.093]
Data/restraints/parameters 2356/1/363
Goodness-of-fit on F2 1.040
Final R indexes [I>=2σ (I)] R1 = 0.0874, wR2 = 0.1780
Final R indexes [all data] R1 = 0.1558, wR2 = 0.2210
Largest diff. peak/hole / e Å−3 0.38/−0.26