Table 2. Crystal Data, Data Collection, and Structure Refinement Details for (4b).
| CCDC | 1885454 |
| molecular formula | C30H31FN6O4 |
| molecular weight | 558.24 |
| temperature | 293 K |
| wavelength | 0.71073 |
| crystal system | triclinic |
| space group | p1̅ |
| unit cell dimensions | a = 14.5024(7) Å; α = 87.207(5)° |
| b = 14.5614(11)Å; β = 89.583(4)° | |
| c = 24.1403(12)Å; ϒ = 85.244(5)° | |
| volume | 5074.2(5) |
| Z | 14; Z′ = 7 |
| density | 0.33 g/cm3 |
| absorption coefficient | 0.024 mm–1 |
| F(000) | 522.3 |
| theta range for data collection | 6.08–58.7 |
| Rint | 0.0709 |
| index ranges | –19 ≤ h ≤ 19, |
| –18 ≤ k ≤ 19, | |
| –32 ≤ l ≤ 33 | |
| reflections collected | 72 381 |
| completeness to theta | 100% |
| absorption correction | multi-scan |
| refinement method | full-matrix |
| least-squares on F2 | |
| goodness-of-fit on F2 | 4.323 |
| final R indices | R1 = 0.9813 |
| [I > 2Σ(I)] | R2 = 0.9996 |