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 3.3 3.0 3.2 0.6 1.1 1.7 0.0 -0.3 -0.0 8 2.9 45 mean 3.1 4.3 4.8 0.9 0.5 2.0 0.0 -0.7 0.1 26 4.8 49 standard dev 1.8 4.7 4.6 5.8 5.6 4.3 0.6 2.9 0.6 41 5.2 25 lower decile 0.5 0.9 1.5 -2.6 -5.1 -1.8 -0.2 -3.8 -0.3 2 0.9 23 upper decile 5.1 8.1 8.6 6.1 5.8 6.7 0.4 1.8 0.3 78 10.7 79 min -1.3 0.0 0.8 -20.8 -21.3 -13.0 -3.3 -13.7 -1.9 1 0.1 7 max 8.4 21.4 21.3 19.8 10.6 15.5 2.8 4.3 3.7 233 26.0 147 ------------------------------------------------------------------------------------------------------------------ anthracene 24 1 2 P21/c 9.15 4.2 0.7 1.5 1.5 2.1 0.5 0.2 -0.3 -0.1 2 1.5 23 anthraquinone 24 1 2 P21/c 9.37 4.7 2.0 2.7 -1.3 4.6 1.8 -0.2 0.8 0.3 4 8.4 34 benzene 12 1 2 Pbca 9.25 4.8 0.7 1.6 1.9 0.7 2.1 -0.1 -0.0 -0.0 3 1.1 7 benzeneF6 12 2 1 P21/n 11.93 6.0 6.5 6.0 0.1 9.5 -3.2 -0.2 1.0 -0.1 12 10.3 33 benzeneO2 12 1 2 P21/c 10.17 2.5 4.1 4.2 -1.8 -2.1 6.5 0.3 -0.6 -0.5 8 4.5 20 benzodithiopheneO2 18 1 2 P21/n 11.50 0.0 3.0 3.0 -2.1 2.3 -1.0 -0.0 -3.7 0.0 3 4.3 47 benzotrithiophene 21 1 1 P21/n 12.27 2.1 2.2 2.6 -1.8 2.1 2.9 -0.1 1.2 -0.1 63 1.9 38 benzotrithiopheneA 21 2 1 P21 12.00 1.3 2.6 2.3 -2.3 3.8 -0.6 -0.0 -1.3 0.0 27 3.5 34 bithiophene 16 1 2 P21/c 11.52 -0.2 15.6 15.6 19.8 -2.0 -13.0 -0.1 4.2 -0.1 7 14.4 39 BTBT 24 1 2 P21/c 10.75 2.7 4.5 4.5 1.4 6.2 -5.6 -0.1 -2.0 0.1 4 6.5 41 C60 60 1 6 Pa-3 11.53 2.3 0.0 0.8 0.8 0.8 0.8 0.0 0.0 0.0 1 0.1 32 carbazole 22 1 2 Pnma 8.98 4.6 0.7 1.8 2.4 1.2 0.9 0.0 0.0 0.5 5 0.9 20 carbazoleNO2b 24 1 1 P21/n 9.57 2.0 20.6 21.2 12.0 -20.3 13.0 0.1 -13.7 -0.0 103 17.4 61 chrysene 30 1 2 C12/n1 9.18 4.6 0.9 2.4 1.6 0.4 2.3 0.0 -1.0 0.0 16 0.7 27 coronene 36 1 2 P21/n 9.43 -0.4 21.4 21.3 5.3 -21.3 15.5 0.0 -12.4 0.0 11 26.0 29 DATT 48 1 1 P21 9.82 3.7 2.4 3.4 3.1 -1.9 2.3 0.4 -1.9 -0.1 58 3.9 70 DBTTF 26 1 2 P21/c 11.59 0.9 4.2 4.5 5.0 -5.3 1.3 -0.2 -0.2 -0.0 2 6.1 86 dibenzoindigo 42 1 2 P21/n 9.34 3.7 1.8 2.3 0.0 0.8 2.7 0.2 -3.8 0.1 37 4.4 75 DNBDT 42 1 2 P21/n 9.79 1.9 4.2 4.9 1.3 -3.5 4.4 0.0 0.5 0.0 4 3.1 55 DNTT 36 1 1 P21 10.21 3.4 3.7 4.3 4.1 -3.1 2.7 2.8 1.8 0.3 70 5.6 55 hexacene 42 2 2 P-1 8.88 5.3 5.1 6.6 -1.5 1.1 5.6 0.1 -4.2 -1.9 22 6.2 44 HMTTF 28 1 1 P21/c 9.99 2.4 1.3 1.9 -0.8 0.8 2.4 0.2 -0.3 -0.2 67 1.8 87 ICZb 32 1 2 P21/c 8.93 4.8 2.1 2.6 1.8 4.3 -1.2 -0.2 1.1 -0.0 9 3.2 26 ICZbCl2c 32 1 2 P21/c 10.06 4.2 4.0 4.9 4.1 3.0 -1.8 0.0 3.0 -0.0 1 3.1 37 IF12b 34 1 2 P21/n 8.96 4.7 1.2 2.7 0.9 1.0 2.7 0.1 -0.3 0.0 4 0.9 26 IF21a 34 1 1 P21/c 9.36 3.4 4.7 4.8 9.2 -5.2 0.0 0.2 1.8 -0.0 78 4.7 30 indigo 30 1 2 P21/n 9.34 5.4 2.5 2.8 -1.7 4.4 2.2 0.1 -0.8 0.1 2 1.9 56 indigoCl2 30 1 2 P21/c 10.72 2.8 12.8 13.7 13.8 -10.6 4.0 -0.0 4.2 0.0 5 9.8 69 naphthalene 18 1 2 P21/c 9.15 4.6 0.8 1.6 2.0 2.0 0.4 0.1 -0.1 -0.1 9 2.1 15 NDFPh 44 1 2 P21/c 9.56 4.4 1.3 1.3 0.3 2.0 2.1 0.4 0.1 0.2 14 0.8 51 NDI 26 2 2 P-1 9.68 6.4 5.9 6.2 -0.8 -1.7 6.5 -3.3 2.8 3.7 32 3.2 38 NDT 24 2 2 P21/c 10.75 2.2 3.2 2.8 -2.3 3.8 0.7 0.0 0.4 0.0 6 4.9 42 oligothiophene4 30 1 2 P21/a 11.55 -0.4 15.4 15.3 -17.6 7.2 11.7 -0.2 -4.0 -0.4 4 17.1 91 oligothiophene6 44 1 2 P21/a 11.53 -1.3 18.7 18.3 -20.8 10.6 12.4 0.3 -2.3 -0.4 2 23.1 138 OPV3CN 42 1 2 Pbca 9.88 2.7 0.9 2.4 1.4 -0.1 1.4 -0.0 0.0 -0.0 9 0.5 68 PBBTZ 30 1 1 P21/n 10.44 1.7 1.0 1.3 -0.6 0.4 1.6 -0.1 -1.7 0.1 21 3.7 81 PDI 40 1 2 P21/n 9.35 4.2 6.5 7.8 -8.3 5.8 7.4 -0.1 -1.3 -0.0 6 9.9 50 pentacene 36 2 2 P-1 8.98 4.7 4.5 5.6 -0.2 -0.3 5.0 1.2 -3.8 1.5 18 6.0 37 pentaceneN2Cl4 34 1 2 P21/n 11.61 3.9 1.8 2.6 0.3 2.2 1.0 0.4 -3.9 -0.0 5 2.9 54 pentaceneN4O2 32 1 2 P21/n 9.62 3.6 1.7 1.3 1.7 2.0 -0.1 -0.1 -0.1 0.0 5 1.5 60 perylene 32 1 2 P21/c 8.98 3.9 0.4 1.5 1.6 1.1 1.2 -0.1 0.4 -0.0 8 1.5 22 phenazine 22 1 2 P21/n 9.50 3.0 2.9 2.9 -3.1 4.6 1.1 0.0 -1.5 -0.1 4 2.5 31 PTCDA 38 1 2 P21/c 9.73 4.5 4.1 3.8 7.3 1.4 -4.2 0.2 -1.2 -0.3 7 5.2 55 pyrene 26 1 1 P21/a 9.43 2.8 4.4 4.7 5.9 -3.7 0.7 -0.0 -0.4 -0.0 81 2.9 23 quinacridone 36 1 2 P21/c 9.22 5.1 7.4 6.3 -5.7 10.3 0.4 -0.1 -2.6 -0.0 3 7.9 67 spirobifluorene 41 1 1 P21/c 9.92 2.6 2.0 1.9 -0.1 3.1 -0.6 0.6 -1.4 0.1 233 1.1 58 stilbene 26 2 2 P21/a 9.16 3.3 1.4 1.5 -0.6 2.2 1.2 -0.0 -0.6 0.0 9 1.3 34 TCNQ 20 1 2 C2/c 12.08 2.5 1.2 1.9 -0.2 0.9 1.9 0.1 0.4 -0.3 18 2.5 49 TCNQ-F2 20 1 4 C2/m 12.26 5.4 3.6 3.4 -2.5 5.2 2.2 0.2 -1.2 -0.7 11 0.3 57 TCNQ-F4 20 1 2 Pbca 13.13 3.3 2.8 2.6 0.6 4.6 -1.8 0.0 -0.1 -0.0 7 1.7 45 tetracene 30 2 2 P-1 9.10 4.4 2.0 3.2 1.5 -0.0 3.3 0.3 -1.0 0.5 5 2.8 30 thiazolothiazolePh 30 1 2 P21/c 10.49 1.1 4.3 4.8 -0.8 -0.5 3.0 0.0 1.6 -0.0 8 1.6 78 TPP 34 1 1 P21/c 9.89 1.4 5.0 5.1 3.5 4.1 -5.9 -0.1 -2.5 -0.0 79 2.5 147 triazine 9 1 2 C2/c 9.80 8.4 6.4 7.9 11.8 4.2 -1.6 -1.9 4.3 1.5 14 12.8 16 triphenylbenzene 42 1 1 Pna21 9.33 2.4 0.9 1.3 -0.3 0.5 2.1 0.0 -0.2 0.1 63 0.3 51 triphenylene 30 1 1 P212121 9.06 3.9 5.8 6.7 -6.0 8.9 1.5 0.1 -0.1 0.1 170 4.7 38 triphenyltriazine 39 1 1 P21/c 9.18 4.4 3.4 6.1 3.0 -1.9 3.2 0.2 0.2 -0.2 33 1.7 69 triptycene 34 1 1 P212121 9.57 3.4 1.2 2.3 1.6 -0.3 2.0 0.1 0.1 0.0 67 1.2 32 TTAa 36 1 2 P21/n 11.13 1.2 1.8 1.7 -0.7 2.3 -0.5 -0.0 -1.4 -0.0 2 1.4 45 TTAb 36 1 2 P21/n 11.14 1.3 6.2 6.5 -0.9 -5.1 7.9 -0.0 1.0 -0.1 8 2.8 49 TTF 14 1 2 P21/c 13.52 0.5 2.5 2.7 2.5 -3.8 1.7 0.0 -0.6 -0.0 6 2.3 66 TTPa 34 1 2 P21/n 11.51 2.0 1.6 1.5 -0.1 2.1 -0.1 0.0 -1.4 -0.0 2 1.2 51 TTPb 34 2 2 P21/a 11.67 0.4 5.0 5.1 5.6 -4.7 0.6 -0.1 1.3 -0.0 14 7.9 49 TTPc 34 1 1 P21 11.76 1.8 3.8 4.3 0.5 -3.6 4.8 -0.0 -1.1 0.1 81 2.1 59 TTTT 18 1 2 P21/n 12.57 1.0 5.4 5.7 2.8 -7.0 6.0 -0.1 0.9 0.0 1 7.8 45