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Comparison of calculated 13C NMR chemical shifts with experimentally observed shifts for 1.
| DP4+ (%) | All data | 0.00% | 100.00% | |
|---|---|---|---|---|
| Type | No. | Exp | 1-RR | 1-SS |
| C | 33 | 153.82 | 162.2954822 | 158.159521 |
| CH2 | 35 | 40.38 | 39.14271042 | 40.7792142 |
| CH | 36 | 73.52 | 79.24594056 | 73.4682572 |
| CH | 37 | 76.83 | 76.85050502 | 76.440967 |
| CH2 | 38 | 65.46 | 63.22609582 | 66.2968835 |
