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 1.6 3.1 3.7 0.3 0.7 1.6 0.0 -0.2 -0.0 9 3.4 37 mean 1.4 4.6 4.9 0.6 -0.3 1.6 -0.0 -0.6 0.0 28 5.2 42 standard dev 1.6 5.1 5.0 5.7 5.6 4.6 0.7 3.5 0.6 43 5.5 26 lower decile -1.0 0.8 1.0 -4.1 -5.1 -3.4 -0.1 -3.4 -0.2 2 1.2 16 upper decile 3.0 11.5 11.8 6.4 4.0 6.1 0.3 2.4 0.2 90 10.8 74 min -3.9 0.0 0.4 -20.6 -24.2 -14.0 -4.4 -15.4 -2.5 1 0.0 2 max 5.6 24.7 24.3 18.0 10.9 17.6 2.0 13.3 3.1 208 30.4 146 ------------------------------------------------------------------------------------------------------------------ anthracene 24 1 2 P21/c 9.38 2.5 1.5 1.6 1.0 2.6 -1.2 0.1 -0.4 -0.2 7 2.7 17 anthraquinone 24 1 2 P21/c 9.67 2.4 1.6 2.0 -1.5 2.6 1.4 -0.1 -0.0 0.1 3 6.6 27 benzene 12 1 2 Pbca 9.54 2.6 0.4 0.9 0.7 0.5 1.4 0.1 0.0 0.0 4 3.7 2 benzeneF6 12 2 1 P21/n 13.26 -3.9 4.7 5.5 -1.7 3.3 -5.2 -0.1 1.1 -0.1 3 8.5 20 benzeneO2 12 1 2 P21/c 10.70 -2.5 3.3 3.3 -4.9 -0.4 2.6 0.5 -1.6 -0.6 10 2.0 16 benzodithiopheneO2 18 1 2 P21/n 11.82 -1.3 2.9 3.2 -2.9 3.5 -2.2 0.0 -1.5 0.1 2 4.1 43 benzotrithiophene 21 1 1 P21/n 12.45 1.5 2.8 3.1 -2.3 3.1 2.3 -0.0 2.0 -0.1 45 2.8 32 benzotrithiopheneA 21 2 1 P21 12.11 1.4 1.8 1.6 -1.5 2.9 -0.2 -0.0 -0.9 0.0 35 3.4 31 bithiophene 16 1 2 P21/c 11.72 -0.5 15.1 15.1 18.0 -0.2 -14.0 -0.1 3.0 -0.1 2 15.0 34 BTBT 24 1 2 P21/c 10.91 2.0 3.0 3.0 0.6 4.0 -3.3 -0.2 -1.8 0.1 9 4.6 33 C60 60 1 6 Pa-3 11.70 1.1 0.0 0.4 0.4 0.4 0.4 -0.0 -0.0 -0.0 1 0.0 19 carbazole 22 1 2 Pnma 9.21 2.8 0.5 1.0 1.0 0.7 1.2 0.0 0.0 0.4 31 2.2 11 carbazoleNO2b 24 1 1 P21/n 9.96 -1.2 24.7 24.3 12.1 -24.2 15.5 0.2 -15.4 -0.1 118 21.0 63 chrysene 30 1 2 C12/n1 9.38 3.3 0.7 1.5 0.9 1.1 1.1 -0.0 -0.9 0.0 14 1.3 20 coronene 36 1 2 P21/n 9.57 -1.4 24.1 23.6 4.2 -22.8 17.6 -0.1 -13.8 0.1 2 30.4 20 DATT 48 1 1 P21 9.98 2.7 3.1 3.7 4.0 -3.5 2.1 -0.1 -2.7 -0.1 34 5.3 52 DBTTF 26 1 2 P21/c 11.69 1.6 4.3 4.8 5.4 -4.8 1.6 -0.1 0.4 -0.0 2 7.1 82 dibenzoindigo 42 1 2 P21/n 9.59 1.9 1.9 2.6 -1.1 1.2 1.8 0.3 -3.5 0.1 48 4.4 56 DNBDT 42 1 2 P21/n 9.94 1.3 4.2 4.7 1.1 -3.8 4.2 0.0 0.4 0.1 4 3.7 46 DNTT 36 1 1 P21 10.39 2.3 3.9 4.2 5.2 -4.6 2.2 2.0 2.1 0.4 50 6.3 43 hexacene 42 2 2 P-1 9.05 4.2 6.3 7.3 -1.5 -0.6 6.0 -0.3 -5.5 -2.5 9 8.4 32 HMTTF 28 1 1 P21/c 10.18 2.0 1.0 1.5 -0.9 1.1 1.7 0.1 -0.2 -0.0 81 1.2 79 ICZb 32 1 2 P21/c 9.16 2.4 14.4 14.9 10.6 3.5 -5.8 -0.1 13.3 -0.0 4 6.0 25 ICZbCl2c 32 1 2 P21/c 10.34 2.3 4.2 4.6 3.4 4.1 -4.1 0.1 2.3 -0.0 2 5.0 26 IF12b 34 1 2 P21/n 9.17 3.0 2.4 3.3 -0.5 0.2 3.4 0.1 0.0 -0.0 4 1.2 16 IF21a 34 1 1 P21/c 9.58 1.1 5.9 5.9 11.1 -7.9 -1.0 0.0 1.3 -0.1 87 5.2 15 indigo 30 1 2 P21/n 9.59 3.5 2.8 3.0 -2.6 3.4 2.6 0.1 -0.3 0.0 2 1.9 45 indigoCl2 30 1 2 P21/c 11.01 1.1 11.0 11.4 11.6 -9.8 2.6 0.0 3.1 0.0 6 8.4 62 naphthalene 18 1 2 P21/c 9.41 2.6 1.3 1.4 1.2 2.1 -0.9 -0.1 -0.3 -0.1 9 2.8 9 NDFPh 44 1 2 P21/c 9.86 1.6 1.4 1.2 -0.5 -0.0 2.3 0.2 0.5 0.0 15 1.9 43 NDI 26 2 2 P-1 10.07 2.9 5.4 5.4 1.1 -2.8 2.2 -4.4 3.0 3.1 35 2.9 34 NDT 24 2 2 P21/c 10.92 1.6 1.6 1.4 -0.8 2.7 -0.3 0.0 -0.1 0.0 5 4.1 35 oligothiophene4 30 1 2 P21/a 11.73 -0.7 14.6 14.5 -17.2 7.6 10.6 -0.1 -3.4 -0.1 2 16.9 85 oligothiophene6 44 1 2 P21/a 11.70 -1.6 17.8 17.4 -20.6 10.9 11.3 0.1 -2.5 -0.1 1 23.1 129 OPV3CN 42 1 2 Pbca 10.12 1.1 0.4 0.9 0.9 -0.3 0.5 0.0 0.0 -0.0 5 0.4 73 PBBTZ 30 1 1 P21/n 10.57 1.4 1.4 1.6 -1.3 0.2 2.0 -0.1 -2.2 0.1 22 4.8 78 PDI 40 1 2 P21/n 9.64 2.0 6.4 7.1 -8.9 5.0 6.7 -0.1 -1.7 0.1 4 10.7 39 pentacene 36 2 2 P-1 9.17 3.5 5.4 6.1 0.1 -2.0 5.0 1.5 -4.6 2.1 6 7.8 26 pentaceneN2Cl4 34 1 2 P21/n 11.88 2.5 2.1 2.4 -0.3 2.3 0.1 0.4 -3.8 -0.0 5 2.7 53 pentaceneN4O2 32 1 2 P21/n 9.92 1.3 1.4 1.2 0.3 1.5 -0.5 0.1 0.8 0.2 10 1.8 48 perylene 32 1 2 P21/c 9.16 2.3 0.6 1.0 1.1 0.8 0.5 -0.0 0.5 -0.0 2 1.8 15 phenazine 22 1 2 P21/n 9.75 1.1 2.1 2.0 -2.4 3.6 -0.3 -0.0 -0.8 0.0 2 1.8 23 PTCDA 38 1 2 P21/c 10.10 1.4 3.8 3.8 5.0 1.2 -4.7 0.3 -1.3 -0.4 4 4.5 51 pyrene 26 1 1 P21/a 9.60 1.4 4.3 4.5 5.5 -3.9 0.0 -0.1 -0.2 -0.0 101 2.5 16 quinacridone 36 1 2 P21/c 9.47 1.8 5.2 4.9 -4.0 5.2 0.1 -0.0 -2.9 -0.0 5 5.0 51 spirobifluorene 41 1 1 P21/c 10.11 0.8 2.0 1.9 -0.4 2.6 -1.5 0.3 -1.0 0.0 208 1.3 53 stilbene 26 2 2 P21/a 9.37 1.9 0.9 0.8 -0.4 1.7 0.4 -0.0 -0.3 0.0 7 1.7 27 TCNQ 20 1 2 C2/c 12.42 0.7 2.3 2.5 -1.1 -0.4 2.4 0.2 0.7 -0.5 13 2.7 37 TCNQ-F2 20 1 4 C2/m 12.84 1.6 4.4 4.2 -4.6 3.4 2.1 0.2 -1.8 -1.3 7 0.3 46 TCNQ-F4 20 1 2 Pbca 13.90 -1.0 1.3 1.5 -1.1 1.5 -1.4 0.0 -0.0 -0.0 10 2.1 33 tetracene 30 2 2 P-1 9.30 3.1 3.1 3.7 2.3 -1.8 3.4 0.9 -1.9 0.8 17 4.2 21 thiazolothiazolePh 30 1 2 P21/c 10.70 0.4 4.3 4.5 -1.2 0.1 2.7 0.0 2.8 -0.1 11 2.5 66 TPP 34 1 1 P21/c 10.07 0.3 4.4 4.4 3.7 2.7 -5.8 -0.1 -2.2 0.1 102 3.3 146 triazine 9 1 2 C2/c 10.20 5.6 5.4 6.3 8.8 3.6 -2.7 -2.0 2.8 1.6 7 11.7 12 triphenylbenzene 42 1 1 Pna21 9.55 0.6 1.0 1.0 -1.1 0.1 1.6 0.0 -0.3 0.1 74 0.5 58 triphenylene 30 1 1 P212121 9.25 2.4 6.0 6.7 -7.4 8.4 2.0 0.1 -0.1 0.0 171 5.1 29 triphenyltriazine 39 1 1 P21/c 9.43 2.5 5.1 6.7 2.5 -3.5 3.6 0.2 -0.0 -0.1 108 3.0 65 triptycene 34 1 1 P212121 9.77 1.4 1.7 2.2 0.6 -1.1 1.9 0.0 0.1 -0.0 81 1.2 45 TTAa 36 1 2 P21/n 11.27 0.6 1.6 1.5 -1.0 2.5 -0.9 0.0 -0.8 -0.0 1 1.7 42 TTAb 36 1 2 P21/n 11.25 1.2 5.8 6.1 -0.4 -5.1 7.4 -0.0 0.9 -0.1 10 3.0 37 TTF 14 1 2 P21/c 13.51 2.7 2.7 3.7 3.0 -3.2 2.8 0.0 -0.6 0.0 1 3.4 63 TTPa 34 1 2 P21/n 11.67 1.4 2.6 2.8 0.1 -0.8 2.1 0.0 -2.2 -0.0 10 2.7 42 TTPb 34 2 2 P21/a 11.83 0.3 5.4 5.5 6.0 -5.1 0.6 -0.1 1.5 0.0 9 8.9 37 TTPc 34 1 1 P21 11.92 1.4 4.8 5.2 0.5 -4.9 5.8 -0.0 -1.1 0.2 88 3.0 48 TTTT 18 1 2 P21/n 12.70 1.8 5.0 5.5 2.6 -6.3 6.0 -0.1 0.4 0.1 2 7.8 37