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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