Representative bond lengths (Å) and angles (°) of the optimized geometries of compound 5 in the S₀ and S₁ states.

Bond	State S0	State S1
C20–O21	1.215	1.290
C20–C22	1.487	1.425
C22–C23	1.339	1.361
C23–C27	1.464	1.455
C17–C20	1.497	1.471
Angle
C20–C22–C23	119.50	124.21
C17–C20–C21	120.02	116.18
C21–C20–C22	121.30	119.62
C18–C17–C20–O21	12.87	20.69
O21–C20–C22–C23	6.09	5.00
C11–C13–C14–C19	7.40	2.61