Anti-solvent treatment assisted crystallization is currently one of the most widely used methods to obtain high-quality perovskite films ascribed to its great operability. However, choosing a proper anti-solvent toward high-quality perovskite film for perovskite solar cells (PSCs) remains elusive. In this study, we qualitatively evaluate the impact of anti-solvent treatment on the grain growth and phase composition of perovskite by X-ray diffraction, scanning electron microscope, Fourier transform infrared spectrometer, and UV-vis absorption measurement, etc. The results demonstrate that the chemical groups in anti-solvents also affect the formation of perovskites, and anti-solvents with a low boiling point and good polarity contribute to the superior efficiency and reproducibility of PSCs. The device prepared using ether as an anti-solvent exhibits the best power conversion efficiency of 18.47%. The results indicate a new path toward selecting an ideal anti-solvent to improve the performance of PSCs.