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 |