Table 1. Crystal Data and Structure Refinement for Compounds 1–4.
| 1 | 2 | 3 | 4 | |
|---|---|---|---|---|
| chem formula | C46H38N12O2 | C40H20N10 | C52H42N12O2 | C49H31N11O |
| formula mass | 790.88 | 640.66 | 866.97 | 789.94 |
| cryst syst | monoclinic | monoclinic | monoclinic | orthorhombic |
| space group | P21/c | C2/c | P21/c | Pbca |
| a/Å | 11.285(2) | 34.345(3) | 16.324(3) | 7.6989(6) |
| b/Å | 32.787(7) | 9.2471(14) | 6.8720(13) | 27.8771(14) |
| c/Å | 10.517(2) | 10.6446(10) | 21.928(4) | 34.694(3) |
| α/deg | 90 | 90 | 90 | 90 |
| β/deg | 98.979(4) | 104.008(10) | 101.657(3) | 90 |
| γ/deg | 90 | 90 | 90 | 90 |
| cell vol/Å3 | 3843.6(14) | 3280.1(7) | 2409.1(8) | 7446.1(9) |
| Z | 4 | 4 | 2 | 8 |
| reflns collected | 21019 | 6837 | 12639 | 20302 |
| indep reflns | 7514 | 3227 | 4730 | 8630 |
| Rint | 0.0768 | 0.0298 | 0.0449 | 0.0486 |
| final R1 values (I > 2σ(I)) | 0.0683 | 0.0561 | 0.0874 | 0.0757 |
| final wR (F2) values (I > 2σ(I)) | 0.1565 | 0.1101 | 0.2565 | 0.1596 |
| goodness of fit on F2 | 1.014 | 1.030 | 1.012 | 0.972 |