Table 1. Cholesterol structures screened to explain the experimental microdiffraction profile in Fig. 2 ▸(b).
During screening the structure with the highest FOM was chosen.
| Number | COD code | Structure name | Chemical formula | FOM |
|---|---|---|---|---|
| 1 | 00-220-0959 | 2:1 Cholesterol–hemimethanolate | C27H46O·0.5CH4O | 0.57 |
| 2 | 00-450-2852 | 2:1:1 Cholesterol–benzyl alcohol–water | 2C27H48O·C7H8O·H2O | 0.47 |
| 3 | 00-720-2351 | 2:1 Cholesterol–4-iodophenol cocrystal | 2C27H46O·C6H5IO | 0.46 |
| 4 | 00-450-2848 | 2:1 Cholesterol–butanol | 2C27H46O·C4H10O | 0.44 |