. 2023 Jun 13;79(Pt 7):626–632. doi: 10.1107/S205698902300498X

Table 1. ¹³C NMR chemical shifts (in p.p.m.) for the cyclopentadienone ring carbon atoms (C4, C5, C6, C7, C8) (TPCPD / BTTHI).

X	C4	C5/C8	C6/C7
O	170.0 / 181.4	82.7 / 71.9	104.2 / 111.1
NCH₂Ts	n/a / 178.3	79.5 / 66.7	99.1 / 105.5
N-2-Naphth	165.3 / 178.2	78.5 / 66.6	98.8 / 104.8
N-2,6-DMP	165.9 / n/a	77.4 / 65.7	98.8 / 104.3
NCH₂Ph	163.6 / n/a	76.0 / 63.9	96.6 / 102.3
NBu	163.3 / n/a	74.8 / 61.6	96.1 / 101.0
N^tBu	161.8 / 175.0	75.1 / 62.2	95.6 / 100.7

All spectra recorded in CDCl₃. Spectra were referenced to the solvent signal at 77.16 p.p.m. (Fulmer et al., 2010 ▸). ¹³C NMR data for Fe(CO)₃-BTTHI were obtained from the literature (Moulin et al., 2013 ▸).

Table 1. 13C NMR chemical shifts (in p.p.m.) for the cyclo­penta­dienone ring carbon atoms (C4, C5, C6, C7, C8) (TPCPD / BTTHI).

Table 1. ¹³C NMR chemical shifts (in p.p.m.) for the cyclopentadienone ring carbon atoms (C4, C5, C6, C7, C8) (TPCPD / BTTHI).