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 0.7 2.8 3.0 -0.1 0.3 1.0 0.0 -0.4 -0.0 9 3.3 34 mean 0.6 4.3 4.4 0.2 -0.3 1.1 0.0 -0.8 0.1 28 4.9 38 standard dev 1.6 4.6 4.5 5.6 5.5 4.4 0.7 2.8 0.7 44 5.2 24 lower decile -2.0 1.0 1.1 -3.3 -5.5 -3.6 -0.2 -3.0 -0.3 2 1.1 13 upper decile 2.3 7.9 7.4 5.5 4.1 5.4 0.4 2.0 0.3 87 9.1 66 min -4.7 0.0 0.3 -21.5 -22.2 -14.1 -4.3 -13.2 -2.2 1 0.1 2 max 4.1 22.1 21.5 18.6 10.8 15.9 2.8 3.7 4.1 237 26.2 143 ------------------------------------------------------------------------------------------------------------------ anthracene 24 1 2 P21/c 9.38 1.7 1.3 1.3 0.4 2.2 -1.1 0.2 -0.5 -0.1 2 2.5 14 anthraquinone 24 1 2 P21/c 9.67 1.5 1.7 1.6 -1.8 3.3 0.3 -0.2 0.7 0.3 4 7.9 23 benzene 12 1 2 Pbca 9.54 1.5 1.1 1.2 1.9 -0.7 0.3 -0.1 -0.0 -0.0 3 1.2 2 benzeneF6 12 2 1 P21/n 13.26 -4.7 4.8 5.9 -1.6 2.7 -5.6 -0.2 0.8 -0.1 12 8.3 20 benzeneO2 12 1 2 P21/c 10.70 -2.5 2.8 2.8 -4.0 -1.0 2.2 0.3 -1.6 -0.5 8 3.4 12 benzodithiopheneO2 18 1 2 P21/n 11.82 -2.6 2.8 3.4 -3.1 2.8 -2.6 -0.0 -1.6 0.0 3 3.8 41 benzotrithiophene 21 1 1 P21/n 12.45 0.7 2.6 2.7 -2.0 3.1 1.0 -0.1 1.8 -0.1 48 3.0 30 benzotrithiopheneA 21 2 1 P21 12.11 0.3 2.7 2.6 -2.5 3.4 -1.0 -0.0 -1.5 0.0 43 4.0 26 bithiophene 16 1 2 P21/c 11.72 -1.9 15.7 15.6 18.6 -1.6 -14.1 -0.1 3.7 -0.1 7 15.0 32 BTBT 24 1 2 P21/c 10.91 1.1 4.3 4.2 0.6 5.5 -5.5 -0.1 -2.0 0.1 4 6.2 31 C60 60 1 6 Pa-3 11.70 0.8 0.0 0.3 0.3 0.3 0.3 0.0 0.0 0.0 1 0.1 17 carbazole 22 1 2 Pnma 9.21 2.0 0.6 0.9 1.2 0.4 0.3 0.0 0.0 0.5 18 1.8 13 carbazoleNO2b 24 1 1 P21/n 9.96 -2.0 20.6 20.0 10.5 -21.5 12.0 0.1 -13.2 -0.0 140 16.7 56 chrysene 30 1 2 C12/n1 9.38 2.4 0.7 1.2 0.7 0.3 1.2 0.0 -0.8 0.0 16 1.0 17 coronene 36 1 2 P21/n 9.57 -1.8 22.1 21.5 4.6 -22.2 15.9 0.0 -12.4 0.0 11 26.2 19 DATT 48 1 1 P21 9.98 2.0 2.8 3.2 3.1 -3.1 1.9 0.4 -2.3 -0.1 52 4.6 49 DBTTF 26 1 2 P21/c 11.69 0.1 4.2 4.3 4.8 -5.5 1.0 -0.2 -0.1 -0.0 2 6.2 75 dibenzoindigo 42 1 2 P21/n 9.59 1.0 1.9 2.3 -1.5 1.1 1.4 0.2 -2.9 0.1 38 3.6 52 DNBDT 42 1 2 P21/n 9.94 0.3 4.2 4.3 1.1 -4.3 3.8 0.0 0.4 0.0 4 3.3 39 DNTT 36 1 1 P21 10.39 1.6 4.0 4.2 4.3 -4.3 2.1 2.8 2.0 0.3 81 6.2 40 hexacene 42 2 2 P-1 9.05 3.2 5.9 6.7 -2.2 -0.4 5.3 -0.6 -5.2 -2.2 22 7.7 28 HMTTF 28 1 1 P21/c 10.18 0.5 1.2 1.3 -1.5 0.5 1.5 0.2 -0.5 -0.2 82 1.4 75 ICZb 32 1 2 P21/c 9.16 2.2 2.3 2.2 0.2 4.5 -2.4 -0.2 0.2 -0.0 9 4.8 12 ICZbCl2c 32 1 2 P21/c 10.34 1.4 4.3 4.5 3.4 3.0 -4.0 0.0 2.4 -0.0 1 4.6 24 IF12b 34 1 2 P21/n 9.17 2.4 1.9 2.6 -0.1 -0.1 2.7 0.1 -0.0 0.0 4 0.9 12 IF21a 34 1 1 P21/c 9.58 1.1 5.7 5.7 10.3 -7.2 -1.1 0.2 1.9 -0.0 90 5.5 18 indigo 30 1 2 P21/n 9.59 2.7 3.0 3.0 -3.2 3.9 1.5 0.1 -1.1 0.1 2 2.2 41 indigoCl2 30 1 2 P21/c 11.01 0.1 12.0 12.0 12.3 -10.9 2.5 -0.0 3.3 0.0 5 8.8 59 naphthalene 18 1 2 P21/c 9.41 1.6 1.1 1.1 0.4 1.6 -0.8 0.1 -0.5 -0.1 10 2.7 8 NDFPh 44 1 2 P21/c 9.86 1.3 1.3 1.1 -0.6 -0.1 2.0 0.4 0.2 0.2 14 1.4 34 NDI 26 2 2 P-1 10.07 2.3 6.0 6.1 -0.5 -3.5 4.3 -4.3 1.8 4.1 32 3.4 27 NDT 24 2 2 P21/c 10.92 0.6 2.5 2.4 -2.1 3.0 -0.2 0.0 0.1 0.0 6 4.5 33 oligothiophene4 30 1 2 P21/a 11.73 -2.0 15.3 15.0 -18.3 7.5 10.8 -0.2 -3.4 -0.4 4 17.6 76 oligothiophene6 44 1 2 P21/a 11.70 -2.7 18.5 17.7 -21.5 10.8 11.3 0.3 -2.8 -0.4 2 23.9 115 OPV3CN 42 1 2 Pbca 10.12 0.2 0.7 0.7 1.1 -1.1 0.3 -0.0 0.0 -0.0 9 0.5 59 PBBTZ 30 1 1 P21/n 10.57 0.4 1.2 1.3 -1.7 0.2 1.6 -0.1 -1.6 0.1 19 3.8 71 PDI 40 1 2 P21/n 9.64 1.0 5.9 6.2 -8.4 4.0 6.0 -0.1 -1.8 -0.0 6 8.8 35 pentacene 36 2 2 P-1 9.17 2.6 5.1 5.6 -0.6 -1.7 4.5 1.7 -4.5 1.8 18 7.2 23 pentaceneN2Cl4 34 1 2 P21/n 11.88 1.6 2.3 2.5 -1.3 2.5 0.1 0.4 -3.8 -0.0 5 2.6 52 pentaceneN4O2 32 1 2 P21/n 9.92 0.5 1.7 1.6 0.2 1.4 -1.0 -0.1 1.3 0.0 5 1.6 44 perylene 32 1 2 P21/c 9.16 1.8 0.8 0.8 0.5 1.5 -0.3 -0.1 -0.2 -0.0 8 2.0 13 phenazine 22 1 2 P21/n 9.75 0.3 1.7 1.7 -2.3 2.8 -0.3 0.0 -0.5 -0.1 4 1.7 21 PTCDA 38 1 2 P21/c 10.10 0.8 4.1 4.0 5.7 0.3 -5.4 0.2 -2.1 -0.3 8 5.1 45 pyrene 26 1 1 P21/a 9.60 1.0 3.9 4.0 4.8 -3.6 -0.2 -0.0 -0.6 -0.0 99 2.2 15 quinacridone 36 1 2 P21/c 9.47 2.3 7.2 6.7 -6.2 8.9 -0.5 -0.1 -2.9 -0.0 3 8.6 52 spirobifluorene 41 1 1 P21/c 10.11 0.6 2.1 2.0 -0.5 2.5 -1.5 0.6 -1.2 0.1 237 1.2 49 stilbene 26 2 2 P21/a 9.37 1.0 0.9 0.8 -0.7 1.2 0.2 -0.0 -0.4 0.0 9 1.5 21 TCNQ 20 1 2 C2/c 12.42 -0.3 1.6 1.5 -0.7 -0.8 1.4 0.1 0.8 -0.3 18 2.1 32 TCNQ-F2 20 1 4 C2/m 12.84 0.6 2.9 2.8 -3.1 1.7 1.7 0.2 -0.9 -0.7 11 0.5 42 TCNQ-F4 20 1 2 Pbca 13.90 -2.5 2.2 2.6 -2.3 2.4 -2.5 0.0 -0.1 -0.0 7 2.0 35 tetracene 30 2 2 P-1 9.30 2.2 2.6 3.0 1.4 -1.5 2.8 0.9 -1.6 0.7 5 3.6 18 thiazolothiazolePh 30 1 2 P21/c 10.70 -0.9 4.9 4.5 -1.7 -1.0 2.7 0.0 2.2 -0.0 8 2.3 65 TPP 34 1 1 P21/c 10.07 -0.4 4.7 4.7 3.2 2.9 -6.2 -0.1 -2.5 -0.0 99 3.1 143 triazine 9 1 2 C2/c 10.20 4.1 5.2 5.8 7.9 3.3 -3.5 -1.9 2.4 1.5 10 11.4 11 triphenylbenzene 42 1 1 Pna21 9.55 0.1 1.0 1.0 -1.5 0.1 1.5 0.0 -0.2 0.1 60 0.3 47 triphenylene 30 1 1 P212121 9.25 1.7 5.5 5.9 -6.6 7.6 1.2 0.1 -0.1 0.1 159 4.4 31 triphenyltriazine 39 1 1 P21/c 9.43 1.6 4.0 5.0 2.4 -3.3 2.7 0.2 0.1 -0.2 35 1.9 58 triptycene 34 1 1 P212121 9.77 1.2 1.0 1.3 0.9 -0.8 1.2 0.1 0.1 0.0 64 1.2 29 TTAa 36 1 2 P21/n 11.27 -0.0 1.9 1.9 -1.4 2.6 -1.3 -0.0 -0.9 -0.0 2 1.9 38 TTAb 36 1 2 P21/n 11.25 0.2 5.6 5.7 -1.1 -4.9 6.8 -0.0 0.8 -0.1 8 2.5 34 TTF 14 1 2 P21/c 13.51 0.6 3.0 3.2 2.5 -4.3 2.3 0.0 -0.7 -0.0 6 2.9 59 TTPa 34 1 2 P21/n 11.67 0.6 1.4 1.3 -0.8 2.2 -0.8 0.0 -0.6 -0.0 2 1.4 41 TTPb 34 2 2 P21/a 11.83 -0.9 5.3 5.1 5.5 -5.5 0.3 -0.1 1.5 -0.0 14 8.0 34 TTPc 34 1 1 P21 11.92 0.4 3.0 3.1 0.1 -3.1 3.4 -0.0 -0.8 0.1 87 1.4 45 TTTT 18 1 2 P21/n 12.70 -0.1 5.2 5.2 2.5 -7.2 5.4 -0.1 0.7 0.0 2 7.7 35