. 2016 Dec 21;1(6):1343–1354. doi: 10.1021/acsomega.6b00315

Table 3. Close Contacts with CH₃ Hydrogens in the Modeled Structures and Olefin Bond Lengths^a.

model	close contacts^b	distance (Å)	olefin bond length (Å)
alkane C–C	none	none	1.54
alkene C=C	none	none	1.34
SW1	C–H_a···B11	2.89	1.340
BN	C–H_a···N74	2.90	1.456
	C–H_a···B7	2.86
	C–H_b···B37	2.91
	C–H_b···B2	2.95
SW2	C–H_a···B35	2.86	1.537
	C–H_b···B2	2.81
V_N	C–H_a···B35	2.84	1.566
	C–H_a···N64	2.88
	C–H_b···B35	2.77
V_B	C–H_a···N69	2.72	1.568
	C–H_b···N69	2.79
	C–H_b···B34	2.80

Both SW1 and SW2 consist of two five-membered rings and two seven-membered rings. SW1 is distorted away from the substrate and SW2 is distorted toward the substrate.

Numbering refers to the model structures provided in the Supporting Information.

Table 3. Close Contacts with CH3 Hydrogens in the Modeled Structures and Olefin Bond Lengthsa.

Table 3. Close Contacts with CH₃ Hydrogens in the Modeled Structures and Olefin Bond Lengths^a.