## 4 Compound 4c
### Experimental for C\({}_{12}\)H\({}_{9}\)F\({}_{3}\)O\({}_{2}\) (4c)
\begin{table}
\begin{tabular}{l l l l l} \hline C5 & 1.04451(11) & 0.19875(10) & 0.59451(8) & 0.01444(13) \\ C6 & 1.00916(12) & 0.18008(12) & 0.73914(8) & 0.01899(15) \\ C7 & 0.82002(13) & 0.21517(12) & 0.78875(9) & 0.02070(15) \\ C8 & 0.66361(12) & 0.26962(12) & 0.69526(9) & 0.01971(15) \\ C9 & 0.69574(11) & 0.28853(11) & 0.55100(8) & 0.01598(13) \\ C10 & 0.88579(10) & 0.25358(10) & 0.50052(7) & 0.01326(12) \\ C11 & 1.12232(11) & 0.27815(10) & 0.14448(8) & 0.01590(13) \\ C12 & 1.31898(12) & 0.27354(12) & 0.07494(9) & 0.02008(15) \\ F1 & 1.37562(8) & 0.40737(8) & 0.09309(6) & 0.02557(13) \\ F2 & 1.46211(8) & 0.10631(8) & 0.12997(6) & 0.03004(14) \\ F3 & 1.30731(9) & 0.29835(10) & \(-\)0.06471(6) & 0.03180(15) \\ H1 & 0.818(3) & 0.282(3) & 0.190(2) & 0.066(5) \\ H3A & 1.2210(17) & 0.4028(17) & 0.3866(12) & 0.018(3) \\ H3B & 1.386(2) & 0.2261(18) & 0.3516(13) & 0.026(3) \\ H4A & 1.3333(19) & 0.1700(17) & 0.5989(13) & 0.021(3) \\ H4B & 1.2933(18) & 0.0209(17) & 0.5436(13) & 0.020(3) \\ H6 & 1.120(2) & 0.1395(19) & 0.8020(14) & 0.030(3) \\ H7 & 0.806(2) & 0.204(2) & 0.8859(17) & 0.041(4) \\ H8 & 0.526(2) & 0.304(2) & 0.7231(14) & 0.033(3) \\ H9 & 0.5882(18) & 0.3326(17) & 0.4836(13) & 0.019(3) \\ \hline \end{tabular}
\end{table} 
Table 23: _Cont._ \begin{table}
\begin{tabular}{l l l l} \hline C1-O1-H1 & 105.2(13) & C7-C6-H6 & 122.1(8) \\ O1-C1-C2 & 123.08(7) & C5-C6-H6 & 117.4(8) \\ O1-C1-C10 & 115.65(6) & C8-C7-C6 & 120.54(7) \\ C2-C1-C10 & 121.28(6) & C8-C7-H7 & 123.4(9) \\ C1-C2-C11 & 116.88(7) & C6-C7-H7 & 116.1(9) \\ C1-C2-C3 & 118.29(6) & C7-C8-C9 & 119.86(7) \\ C11-C2-C3 & 124.76(6) & C7-C8-H8 & 124.2(8) \\ C2-C3-C4 & 111.06(6) & C9-C8-H8 & 115.9(8) \\ C2-C3-H3A & 108.3(7) & C8-C9-C10 & 119.82(7) \\ C4-C3-H3A & 108.5(7) & C8-C9-H9 & 121.1(7) \\ C2-C3-H3B & 113.2(7) & C10-C9-H9 & 119.0(7) \\ C4-C3-H3B & 108.2(8) & C9-C10-C5 & 120.59(7) \\ H3A-C3-H3B & 107.4(10) & C9-C10-C1 & 120.17(7) \\ C5-C4-C3 & 112.07(6) & C5-C10-C1 & 119.22(6) \\ C5-C4-H4A & 110.3(7) & O2-C11-C2 & 125.09(7) \\ C3-C4-H4A & 109.1(7) & O2-C11-C12 & 115.47(7) \\ C5-C4-H4B & 105.9(7) & C2-C11-C12 & 119.42(7) \\ C3-C4-H4B & 111.1(7) & F3-C12-F1 & 107.53(7) \\ H4A-C4-H4B & 108.2(10) & F3-C12-F2 & 107.30(7) \\ C6-C5-C10 & 118.70(7) & F1-C12-F2 & 107.24(7) \\ C6-C5-C4 & 121.98(7) & F3-C12-C11 & 110.83(7) \\ C10-C5-C4 & 119.24(6) & F1-C12-C11 & 112.56(6) \\ C7-C6-C5 & 120.50(8) & F2-C12-C11 & 111.13(6) \\ \hline \end{tabular}
\end{table} 
Table 25: Bond Lengths for _4c_. \begin{table}
\begin{tabular}{l l l} \hline O1-C1 & 1.3215(9) & C5-C10 & 1.4016(10) \\ O1-H1 & 0.855(19) & C6-C7 & 1.3903(12) \\ O2-C11 & 1.2476(10) & C6-H6 & 0.960(14) \\ C1-C2 & 1.3895(10) & C7-C8 & 1.3860(12) \\ C1-C10 & 1.4626(10) & C7-H7 & 0.931(15) \\ C2-C11 & 1.4193(10) & C8-C9 & 1.3877(11) \\ C2-C3 & 1.5112(10) & C8-H8 & 0.984(14) \\ C3-C4 & 1.5255(11) & C9-C10 & 1.3992(10) \\ C3-H3A & 0.979(12) & C9-H9 & 0.964(12) \\ C3-H3B & 0.984(13) & C11-C12 & 1.5408(11) \\ C4-C5 & 1.5016(10) & C12-F3 & 1.3298(10) \\ C4-H4A & 0.972(12) & C12-F1 & 1.3322(10) \\ C4-H4B & 0.950(12) & C12-F2 & 1.3410(10) \\ C5-C6 & 1.3946(10) & \\ \hline \end{tabular}
\end{table} 
Table 26: Bond Angles for _4c_. \begin{table}
\begin{tabular}{l l l l} \hline C10-C1-C2-C3 & –4.99(10) & O1-C1-C10-C9 & –12.24(10) \\ C1-C2-C3-C4 & 36.71(9) & C2-C1-C10-C9 & 167.79(7) \\ C11-C2-C3-C4 & –146.47(7) & O1-C1-C10-C5 & 165.92(6) \\ C2-C3-C4-C5 & –49.62(8) & C2-C1-C10-C5 & –14.06(10) \\ C3-C4-C5-C6 & –149.82(7) & C1-C2-C11-O2 & 0.34(11) \\ C3-C4-C5-C10 & 33.60(9) & C3-C2-C11-O2 & –176.52(7) \\ C10-C5-C6-C7 & 0.04(11) & C1-C2-C11-C12 & –178.03(6) \\ C4-C5-C6-C7 & –176.56(7) & C3-C2-C11-C12 & 5.11(11) \\ C5-C6-C7-C8 & –0.13(12) & O2-C11-C12-F3 & 6.60(10) \\ C6-C7-C8-C9 & 0.30(12) & C2-C11-C12-F3 & –174.87(7) \\ C7-C8-C9-C10 & –0.37(11) & O2-C11-C12-F1 & 127.07(8) \\ C8-C9-C10-C5 & 0.28(11) & C2-C11-C12-F1 & \(-\)54.40(10) \\ C8-C9-C10-C1 & 178.41(7) & O2-C11-C12-F2 & –112.62(8) \\ C6-C5-C10-C9 & –0.11(11) & C2-C11-C12-F2 & 65.91(9) \\ \hline \end{tabular}
\end{table} 
Table 27: _Cont._