Table 2. R2-Coefficients for All of the Curve and Surface Fitsa.
|
l = 0 |
l2 = ⟨l2⟩ |
|||||||
|---|---|---|---|---|---|---|---|---|
| complex | R2 | RBW2 | R2 | RBW2 | var. l R2 | (l-fit) RBW2 | var. l R2 | (both fits) RBW2 |
| (MetO)2 | 0.9996 | 0.9994 | 0.9995 | 0.9992 | 0.9975 | 0.9957 | 0.9976 | 0.9980 |
| (EtO)2 | 0.9996 | 0.9994 | 0.9994 | 0.9992 | 0.9989 | 0.9980 | 0.9967 | 0.9974 |
| (ProO)2 | 0.9996 | 0.9995 | 0.9991 | 0.9986 | 0.9987 | 0.9978 | 0.9961 | 0.9972 |
| (AceO)2 | 0.9996 | 0.9994 | 0.9993 | 0.9989 | 0.9988 | 0.9988 | 0.9913 | 0.9940 |
| (ButO)2 | 0.9995 | 0.9993 | 0.9995 | 0.9993 | 0.9987 | 0.9977 | 0.9950 | 0.9967 |
| R,R-(BuOHO)2 | 0.9997 | 0.9997 | 0.9991 | 0.9987 | 0.9998 | 0.9996 | 0.9953 | 0.9967 |
| R,S-(BuOHO)2 | 0.9996 | 0.9995 | 0.9992 | 0.9988 | 0.9995 | 0.9993 | 0.9952 | 0.9970 |
| R-alkoxy,R-nitroxy-α-pin | 0.9996 | 0.9994 | 0.9974 | 0.9958 | 0.9995 | 0.9994 | 0.9902 | 0.9938 |
| R-alkoxy,S-nitroxy-α-pin | 0.9997 | 0.9996 | 0.9996 | 0.9994 | 0.9997 | 0.9995 | 0.9943 | 0.9968 |
| S-alkoxy,R-nitroxy-α-pin | 0.9998 | 0.9997 | 0.9993 | 0.9991 | 0.9998 | 0.9997 | 0.9930 | 0.9939 |
| S-alkoxy,S-nitroxy-α-pin | 0.9997 | 0.9996 | 0.9996 | 0.9994 | 0.9996 | 0.9995 | 0.9928 | 0.9957 |
| (α-pin-O3–RO)2 | 0.9997 | 0.9997 | 0.9995 | 0.9993 | 0.9997 | 0.9996 | 0.9914 | 0.9937 |
| MetO-EtO | 0.9996 | 0.9994 | 0.9994 | 0.9990 | 0.9987 | 0.9975 | 0.9966 | 0.9975 |
| MetO-ProO | 0.9996 | 0.9994 | 0.9994 | 0.9992 | 0.9979 | 0.9965 | 0.9963 | 0.9970 |
| MetO-AceO | 0.9996 | 0.9994 | 0.9996 | 0.9994 | 0.9974 | 0.9957 | 0.9943 | 0.9961 |
| MetO-ProOHO | 0.9996 | 0.9995 | 0.9992 | 0.9989 | 0.9993 | 0.9989 | 0.9950 | 0.9962 |
| MetO-BuOHO | 0.9996 | 0.9994 | 0.9994 | 0.9991 | 0.9990 | 0.9989 | 0.9932 | 0.9953 |
| EtO-ProO | 0.9996 | 0.9994 | 0.9993 | 0.9990 | 0.9989 | 0.9980 | 0.9962 | 0.9972 |
| EtO-AceO | 0.9996 | 0.9994 | 0.9994 | 0.9992 | 0.9990 | 0.9983 | 0.9956 | 0.9967 |
| EtO-ProOHO | 0.9997 | 0.9995 | 0.9992 | 0.9989 | 0.9995 | 0.9992 | 0.9950 | 0.9964 |
| EtO-BuOHO | 0.9996 | 0.9995 | 0.9991 | 0.9987 | 0.9994 | 0.9991 | 0.9938 | 0.9957 |
| ProO-AceO | 0.9996 | 0.9994 | 0.9994 | 0.9992 | 0.9991 | 0.9985 | 0.9957 | 0.9970 |
| ProO-ProOHO | 0.9996 | 0.9994 | 0.9989 | 0.9983 | 0.9995 | 0.9992 | 0.9958 | 0.9970 |
| ProO-BuOHO | 0.9996 | 0.9995 | 0.9987 | 0.9980 | 0.9995 | 0.9991 | 0.9953 | 0.9967 |
| AceO-ProOHO | 0.9996 | 0.9995 | 0.9992 | 0.9988 | 0.9996 | 0.9993 | 0.9959 | 0.9972 |
| AceO-BuOHO | 0.9996 | 0.9995 | 0.9988 | 0.9982 | 0.9996 | 0.9993 | 0.9952 | 0.9967 |
As you see, the agreement between the function and the trajectory data is in general very good.