Table 1. Comparison of the bond lengths of 7 and CHI1 in the crystals and calculated.

Bond (Å)	7	7 a (DFT)	CHI1	CHI1 a , b (DFT)	CHI2 c	CHI3 d
a	1.467 (3)	1.474	1.406 (5)	1.414	1.448 (4)	1.350 (8)
a′	1.466 (4)	1.474	1.470 (5)	1.462
b	1.389 (3)	1.400	1.435 (5)	1.439	1.420 (3)	1.496 (6)
c	1.388 (3)	1.394	1.352 (5)	1.359	1.372 (3)	1.401 (5)
d	1.378 (4)	1.393	1.450 (5)	1.452	1.429 (3)	1.482 (6)
e	1.484 (4)	1.497	1.386 (5)	1.393	1.420 (3)	1.342 (6)
f	1.435 (3)	1.434	1.451 (5)	1.447
g	1.413 (4)	1.414	1.438 (5)	1.449
h	1.484 (4)	1.485	1.467 (5)	1.464
i	1.496 (4)	1.497	1.467 (5)	1.472

^aCalculated with the DFT method at the B3LYP/6-31G(d,p) level using the Gaussian 09 program.¹⁷

^bThe TIPS groups of CHI1 were omitted and hydrogen atoms were used in their place.

^cTaken from ref. 8b.

^dTaken from ref. 9.