| CCDC code |
1812136
|
| Empirical formula |
C32H22N2O2
|
| Formula weight |
566.51 |
| Temperature/K |
296(2) |
| Crystal system |
Orthorhombic |
| Space group |
Pca21
|
|
a/Å |
20.7011(17) |
|
b Å |
6.2155(4) |
|
c/Å |
18.0683(13) |
| α/° |
90 |
| β/° |
90 |
| γ/° |
90 |
| Volume/Å3
|
2324.8(3) |
|
Z
|
4 |
|
ρ
calc mg mm−3
|
1.333 |
|
μ/mm−1
|
0.084 |
|
F(000) |
976.0 |
| Crystal size/mm3
|
0.29 × 0.21 × 0.14 |
| 2θ range for data collection |
5.986 to 58.31° |
| Index ranges |
−27 ≤ h ≤ 26, −8 ≤ k ≤ 5, −24 ≤ l ≤ 24 |
| Reflections collected |
13 650 |
| Independent reflections |
5313[R(int) = 0.0505] |
| Data/restraints/parameters |
5313/1/332 |
| Goodness-of-fit on F2
|
1.042 |
| Final R indexes [I ≥ 2σ(I)] |
R
1 = 0.0543, wR2 = 0.1103 |
| Final R indexes [all data] |
R
1 = 0.1126, wR2 = 0.1369 |
| Largest diff. peak/hole/e Å−3
|
0.14/−0.14 |
