Table 1.
Crystal data and refinement parameters for the 1–6.
| 1 | 2 | 3 | 4 | 5 | 6 | |
|---|---|---|---|---|---|---|
| Formula Weight | 2574.41 | 2726.69 | 2723.73 | 2630.47 | 2494.20 | 2522.28 |
| Empirical formula | 2C42H70O35∙ 2C10H16O |
2C42H70O35∙ 3C10H16O |
2C42H70O35∙3C10 H17N |
2C42H70O35∙ 2C11H16O2 |
2C42H70O35∙ C12H16O4 |
2C42H70O35∙ C14H20O4 |
| Crystal system | triclinic | orthorhombic | orthorhombic | orthorhombic | triclinic | triclinic |
| Space group | P1 | C2221 | C2221 | C2221 | P1 | P1 |
| a (Å) | 15.3986(9) | 23.8095(5) | 19.2469(5) | 19.1225(4) | 15.2993(8) | 15.2868(3) |
| b (Å) | 15.4175(8) | 19.2806(4) | 23.9691(5) | 24.2639(6) | 15.4429(7) | 15.4435(3) |
| c (Å) | 17.9599(10) | 32.4542(9) | 32.5978(9) | 32.6433(8) | 18.0837(10) | 18.0918(4) |
| α (°) | 113.169(2) | 90 | 90 | 90.00 | 99.751(4) | 100.0500(10) |
| β (°) | 99.213(2) | 90 | 90 | 90.00 | 113.551(5) | 113.0330(10) |
| γ (°) | 103.219(2) | 90 | 90 | 90.00 | 102.813(4) | 102.4900(10) |
| V (Å3) | 3664.1(4) | 14,898.5(6) | 15,038.4(7) | 15,146.0(6) | 3656.6(4) | 3674.56(13) |
| Z | 1 | 1 | 4 | 4 | 1 | 1 |
| ρcalc (g cm–3) | 1.167 | 1.097 | 1.031 | 1.075 | 1.133 | 1.026 |
| F(000) | 1372 | 5235 | 4754 | 5212 | 1324 | 1204 |
| µ (cm–1) | 0.545 | 0.520 | 0.802 | 0.093 | 0.099 | 0.504 |
| Total reflections | 50,836 | 96,200 | 72,586 | 55,633 | 27,091 | 46,007 |
| Unique reflections | 26,218 | 14,176 | 13,298 | 13,052 | 21,115 | 27,008 |
| Observed reflections | 19,199 | 11,540 | 12,601 | 9831 | 16,593 | 25,912 |
| Rint | 0.0715 | 0.0782 | 0.0408 | 0.0361 | 0.0387 | 0.0400 |
| Variables | 1568 | 774 | 773 | 739 | 1676 | 1387 |
| R1 a | 0.1024 | 0.082400853 | 0.0801 | 0.0883 | 0.0758 | 0.0648 |
| wR2b | 0.2643 | 0.2371 | 0.2303 | 0.2630 | 0.2080 | 0.1891 |
| GOF c | 1.027 | 1.071 | 1.051 | 1.153 | 1.027 | 1.028 |
a R1 = Σ||Fo|− - |Fc||/Σ|Fo|, b wR2 = {Σ[ω(Fo2 - Fc2)2]/Σ[ω(Fo2)2]}1/2, and c GOF = {Σ[ω(Fo2 - Fc2)2]/(n - p)}1/2, where n is the number of reflections, and p the total number of parameters refined.