system na1 no ns SG V1 dV1 dSh dTv da db dc dalp dbet dgam dr phi dev str # # # str Ao3 % % % % % % deg deg deg mAo deg mAo median -7.6 3.5 3.6 -2.8 -2.5 -1.3 0.0 -0.3 -0.0 6 3.3 26 mean -7.9 4.6 4.8 -3.0 -3.3 -1.5 -0.2 -0.8 -0.4 39 4.1 37 standard dev 1.8 4.0 3.3 5.3 5.0 3.8 1.1 2.2 3.4 78 4.4 49 lower decile -10.6 1.5 2.2 -7.2 -9.1 -6.4 -0.9 -3.5 -0.3 2 1.2 6 upper decile -5.8 7.3 7.4 1.1 2.4 2.7 0.3 1.8 0.2 109 7.9 55 min -12.9 0.0 1.7 -25.4 -21.0 -11.6 -6.2 -9.9 -26.6 1 0.2 2 max -4.7 20.7 18.0 13.3 9.2 10.4 2.3 4.4 4.1 482 26.0 349 ------------------------------------------------------------------------------------------------------------------ anthracene 24 1 2 P21/c 9.38 -6.3 2.5 3.0 -2.1 -5.2 0.4 0.3 -1.5 0.2 3 5.1 6 anthraquinone 24 1 2 P21/c 9.67 -8.5 3.6 2.6 -3.8 -4.8 0.0 0.4 0.2 -0.6 6 9.1 20 benzene 12 1 2 Pbca 9.54 -8.8 1.4 3.6 -3.6 -4.3 -1.1 -0.0 -0.0 -0.1 3 1.4 2 benzeneF6 12 2 1 P21/n 13.26 -12.8 4.8 8.7 -3.6 -1.0 -8.6 -0.1 0.0 -0.1 6 7.8 19 benzeneO2 12 1 2 P21/c 10.70 -11.6 3.0 5.2 -3.8 -2.2 -6.6 -1.0 -3.0 0.7 12 4.9 11 benzodithiopheneO2 18 1 2 P21/n 11.82 -10.5 3.2 6.8 -3.2 -1.5 -6.4 -0.0 -1.0 -0.0 3 5.3 31 benzotrithiophene 21 1 1 P21/n 12.45 -7.8 2.7 3.1 -3.5 0.4 -2.9 0.1 2.6 -0.1 40 3.2 23 benzotrithiopheneA 21 2 1 P21 12.11 -8.4 3.3 4.6 -5.9 -2.1 -1.4 -0.0 -2.4 0.0 37 3.3 22 bithiophene 16 1 2 P21/c 11.72 -9.1 2.8 4.5 -0.7 -3.8 -5.4 -1.1 -1.4 -0.9 3 5.0 22 BTBT 24 1 2 P21/c 10.91 -7.3 5.9 6.5 -0.6 3.9 -10.9 0.1 -1.6 -0.1 4 8.1 26 C60 60 1 6 Pa-3 11.70 -6.5 0.0 2.2 -2.2 -2.2 -2.2 -0.0 -0.0 -0.0 1 0.2 7 carbazole 22 1 2 Pnma 9.21 -6.6 1.4 2.1 -1.9 -1.2 -3.6 0.0 0.0 -0.2 5 1.1 14 carbazoleNO2b 24 1 1 P21/n 9.96 -10.9 15.5 12.9 7.4 -21.0 3.7 -0.0 -9.9 0.0 245 10.6 58 chrysene 30 1 2 C12/n1 9.38 -6.5 5.2 4.6 -0.5 -10.5 4.5 0.0 -2.7 0.0 25 3.5 6 coronene 36 1 2 P21/n 9.57 -7.0 3.3 2.2 -0.2 -7.0 0.2 0.0 -0.2 0.0 6 0.8 7 DATT 48 1 1 P21 9.98 -6.4 4.2 3.1 -0.9 -6.3 0.6 1.2 -1.3 -0.3 74 3.9 37 DBTTF 26 1 2 P21/c 11.69 -7.7 5.4 5.1 1.7 -8.9 -2.6 0.2 -3.2 0.1 2 5.5 51 dibenzoindigo 42 1 2 P21/n 9.59 -7.5 4.5 1.9 -6.4 -0.1 -1.1 -0.1 -0.5 0.1 19 1.7 31 DNBDT 42 1 2 P21/n 9.94 -7.7 4.6 2.2 0.3 -8.7 0.7 0.2 -0.2 0.2 7 2.8 23 DNTT 36 1 1 P21 10.39 -5.8 6.4 5.6 -6.5 -0.0 1.5 -6.2 1.1 -0.6 482 2.8 58 hexacene 42 2 2 P-1 9.05 -5.6 2.0 2.4 -2.8 -2.6 -0.7 -1.9 -0.3 0.0 4 1.3 20 HMTTF 28 1 1 P21/c 10.18 -7.5 2.4 3.3 -4.3 -3.7 0.2 0.3 -1.4 -0.3 105 1.3 54 ICZb 32 1 2 P21/c 9.16 -5.7 2.2 3.2 -1.7 -0.0 -4.3 0.0 -1.9 -0.1 4 3.9 6 ICZbCl2c 32 1 2 P21/c 10.34 -5.2 3.3 3.4 0.2 0.3 -6.1 -0.0 -1.3 -0.1 7 4.1 20 IF12b 34 1 2 P21/n 9.17 -6.0 1.8 2.6 -1.8 -2.5 -1.6 0.0 2.2 0.0 1 1.1 6 IF21a 34 1 1 P21/c 9.58 -6.3 5.6 6.0 7.2 -10.4 -2.2 0.0 3.0 0.0 101 6.0 17 indigo 30 1 2 P21/n 9.59 -5.8 5.2 6.2 -7.5 2.3 -2.5 0.2 -3.9 0.1 3 3.4 26 indigoCl2 30 1 2 P21/c 11.01 -6.8 15.1 13.0 13.3 -16.4 0.1 -0.3 2.3 -0.0 2 10.1 53 naphthalene 18 1 2 P21/c 9.41 -7.5 1.4 3.4 -2.6 -2.4 -3.7 -0.3 -1.3 -0.1 9 2.1 3 NDFPh 44 1 2 P21/c 9.86 -6.4 1.5 3.3 -2.3 -3.5 -1.1 0.1 -1.8 0.7 14 1.6 39 NDI 26 2 2 P-1 10.07 -8.0 5.2 5.7 -1.1 -4.8 -1.3 -3.5 -3.5 4.1 6 3.7 21 NDT 24 2 2 P21/c 10.92 -7.6 2.9 5.3 -5.2 0.2 -2.7 0.1 0.9 -0.0 4 4.8 25 oligothiophene4 30 1 2 P21/a 11.73 -9.7 18.5 17.1 -24.0 7.7 10.4 -0.4 0.1 -0.3 2 24.0 48 oligothiophene6 44 1 2 P21/a 11.70 -10.1 20.7 18.0 -25.4 9.2 9.8 -0.7 -5.0 0.1 2 26.0 76 OPV3CN 42 1 2 Pbca 10.12 -10.9 15.9 11.9 -0.5 -2.2 2.6 -2.3 -0.6 -26.6 28 2.9 349 PBBTZ 30 1 1 P21/n 10.57 -7.5 1.6 4.1 -4.2 -3.1 -0.6 0.1 -1.0 -0.0 85 3.7 53 PDI 40 1 2 P21/n 9.64 -7.9 3.9 3.3 -7.5 -1.1 0.9 -0.0 -4.2 -0.1 6 2.0 25 pentacene 36 2 2 P-1 9.17 -6.3 2.1 3.0 -2.2 -3.7 -1.3 2.3 -0.4 -0.3 5 1.8 12 pentaceneN2Cl4 34 1 2 P21/n 11.88 -4.7 4.4 3.6 -7.1 3.3 -1.0 0.1 -4.4 -0.0 4 3.6 53 pentaceneN4O2 32 1 2 P21/n 9.92 -8.8 3.6 5.9 -5.2 1.1 -4.3 -0.2 4.4 -0.1 12 4.4 44 perylene 32 1 2 P21/c 9.16 -6.7 1.8 2.6 -0.1 -3.8 -2.7 0.0 1.0 -0.1 4 1.9 4 phenazine 22 1 2 P21/n 9.75 -8.6 2.8 2.7 -3.0 -5.2 -0.4 0.1 0.5 -0.4 3 1.9 15 PTCDA 38 1 2 P21/c 10.10 -8.1 2.5 4.3 -2.2 -1.9 -4.8 -0.6 -4.0 0.9 11 4.1 35 pyrene 26 1 1 P21/a 9.60 -7.5 2.5 3.5 -0.7 -5.5 -1.7 0.3 -1.6 0.1 132 1.9 10 quinacridone 36 1 2 P21/c 9.47 -6.5 3.5 4.7 -4.2 -2.2 -0.9 0.1 -2.6 -0.0 3 4.2 30 spirobifluorene 41 1 1 P21/c 10.11 -6.6 2.2 3.8 -2.9 0.2 -4.2 0.3 -1.2 0.2 252 1.8 43 stilbene 26 2 2 P21/a 9.37 -7.5 1.5 3.6 -4.0 -2.2 -2.2 -0.0 -1.0 -0.0 4 1.2 13 TCNQ 20 1 2 C2/c 12.42 -11.5 8.2 6.0 -5.6 -9.2 3.8 0.1 1.8 -0.1 3 6.5 25 TCNQ-F2 20 1 4 C2/m 12.84 -9.9 3.5 4.4 -4.0 -6.1 0.6 -0.9 1.1 -2.2 12 3.0 35 TCNQ-F4 20 1 2 Pbca 13.90 -12.9 2.6 6.2 -6.0 -0.9 -6.5 0.0 -0.1 -0.0 15 2.0 42 tetracene 30 2 2 P-1 9.30 -6.6 2.4 2.9 -2.4 -4.2 -0.6 1.8 -0.3 0.0 8 2.4 9 thiazolothiazolePh 30 1 2 P21/c 10.70 -9.8 6.4 2.9 -3.5 -7.0 0.6 -0.0 0.3 0.0 4 2.5 50 TPP 34 1 1 P21/c 10.07 -8.5 7.1 7.2 1.3 2.3 -11.6 -0.1 -3.1 0.0 104 4.0 188 triazine 9 1 2 C2/c 10.20 -8.7 4.6 5.6 -2.9 0.0 -8.9 0.1 -2.6 -0.0 25 4.5 11 triphenylbenzene 42 1 1 Pna21 9.55 -9.1 4.0 3.4 -9.2 -0.7 0.8 0.1 0.1 -0.3 22 2.0 132 triphenylene 30 1 1 P212121 9.25 -6.9 5.8 4.8 -9.6 4.9 -1.8 0.1 -0.0 -0.0 173 3.7 33 triphenyltriazine 39 1 1 P21/c 9.43 -7.6 5.0 1.7 0.9 -8.3 -0.2 0.1 0.3 0.0 147 1.2 54 triptycene 34 1 1 P212121 9.77 -5.5 0.5 2.1 -1.3 -2.6 -1.6 -0.0 0.0 -0.1 66 1.0 18 TTAa 36 1 2 P21/n 11.27 -7.4 4.5 6.6 -6.2 3.9 -4.8 -0.1 2.4 0.0 9 4.5 30 TTAb 36 1 2 P21/n 11.25 -8.1 5.5 4.6 -2.9 -8.3 3.5 0.0 1.2 0.0 4 1.7 25 TTF 14 1 2 P21/c 13.51 -8.8 3.8 2.6 -0.4 -8.2 -0.3 -0.1 -0.3 0.2 1 1.8 42 TTPa 34 1 2 P21/n 11.67 -6.6 1.7 2.7 -3.5 -2.5 -0.7 0.0 0.2 -0.0 33 1.8 36 TTPb 34 2 2 P21/a 11.83 -9.6 5.2 3.3 1.7 -9.1 -1.7 0.0 1.1 0.0 4 4.8 27 TTPc 34 1 1 P21 11.92 -8.0 1.8 2.6 -1.0 -5.2 -2.1 -0.0 -0.7 -0.1 92 1.1 37 TTTT 18 1 2 P21/n 12.70 -9.4 5.9 3.7 1.1 -11.1 1.2 -0.1 1.1 -0.0 2 6.5 28