Phase transitions, lattice parameters (acub), number of molecules in the neighbouring rafts (nraft) and twist angles between the rafts (Φ/°) in the Cubbi phases of compounds 3/H and 3/na.
| |||||
|---|---|---|---|---|---|
| 3/n | T/°C [ΔH kJ mol−1] | a cub/nm | n raft | Φ/° | L mol/nm |
| 3/H | H: Cr 126 [52.2] Iso | — | — | — | 4.2 |
| C: Iso 110 [27.3] Cr | |||||
| 3/1 | H: Cr 127 [36.3] Iso | — | — | — | 4.3 |
| C: Iso 115 [36.4] Cr | |||||
| 3/2 | H: Cr 120 [37.9] Ia3̄d(L) 127 [1.8] Iso1 135 [2.8] Iso | 12.9 | 5.0 | 6.9 | 4.4 |
| C: Iso 133 [2.7] Iso1 121 [0.2] Iso1[*] 110 [0.3] Ia3̄d(L) 105 [31.3] Cr | |||||
| 3/4 | H: Cr 128 [53.5] Iso | 18.4 | 4.0 | 7.6 | 4.6 |
| C: Iso 128 [4.5] Iso1 122 [0.4] Iso1[*] 116 [0.7] I23[*] 73 [21.2] Cr | |||||
| 3/6 | H: Cr 118 [64.6] (CrIso[*] 82 [17.3]) I23[*] 126 [2.2] Iso1 134 [5.7] Iso | 18.1 | 3.8 | 7.7 | 4.8 |
| C: Iso 130 [7.1] Iso1 123 [0.5] Iso1[*] 118 [1.1] I23[*] 61 [15.3] CrIso[*] | |||||
| 3/10 | H: Cr 97 [63.2] (CrIso[*] 90 [17.6]) I23[*] 131 [2.2] Iso1 138 [5.7] Iso | 18.4 | 3.7 | 7.6 | 5.2 |
| C: Iso 135 [5.9] Iso1 127 [0.3] Iso1[*] 122 [0.9] I23[*] 66 [17.8] CrIso[*] | |||||
| 3/12 | H: Cr 114 [47.0] Ia3̄d(S) 135 [3.4] Iso1 139 [6.2] Iso | 11.4 | 3.3 | 7.9 | 5.4 |
| C: Iso 137 [8.9] Iso1 128 [0.3] Iso1[*] 122 [0.7] Ia3̄d(S) 48 [17.9] CrIso < 20 Cr | |||||
| 3/14 | H: Cr 108 [44.1] Ia3̄d(S) 135 [2.7] Iso1 138 [7.2] Iso | 11.3 | 3.2 | 7.8 | 5.6 |
| C: Iso 136 [9.2] Iso1 129 [1.4] Colhex 125 [0.5] Ia3̄d(S) 42 [16.9] CrIso < 20 Cr | |||||
| 3/16 | H: Cr 80 [36.4] Ia3̄d(S) 133 [3.1] Iso1139 [6.1] Iso | 11.5 | 3.2 | 7.8 | 5.8 |
| C: Iso 136 [6.0] Iso1130 [2.3] Colhex 121 [0.5] Ia3̄d(S) 45 [25.0] Cr | |||||
DSC peak temperatures on heating/cooling (H/C) at 10 K min−1; nraft = ncell/(Lnet/0.45) with Lnet = 20.68aI23; and Lnet = 8.485aIa3̄d; Φ(Ia3̄d) = 70.5°/[0.354acub/0.45 nm]; Φ(I23) = 90°/[0.290acub/0.45 nm];25Lmol = maximum molecular length as determined with space filling models assuming a molecular bend of 110° and all-trans alkyl chains, see Fig. S15; abbreviations: Iso1 = achiral cybotactic isotropic liquid (see Fig. 3d), Cr = birefringent crystalline solid; CrIso = optically isotropic crystalline mesophase; CrIso[*] = mirror symmetry broken CrIso forming a conglomerate of chiral domains; Ia3̄d(S) = short pitch Ia3̄d phase with a smaller number of molecules in the unit cell/rafts and a larger twist angle Φ than in Ia3̄d(L) = long pitch Ia3̄d phase with a larger number of molecules in the unit cell/rafts and a smaller twist angle Φ; for other abbreviations, see Table 1; chiral phases are shown in bold; because the transitions Iso–Iso1 are very broad (see Table S1) it is difficult to determine precise enthalpy values; for DSC traces, see Fig. S1 and for XRD data, see Tables S1–S7 and Fig. S7 and S10–S14.