Table 1. Crystallographic Data and Refinement Details for the Cocrystal BBC-FA.
| cocrystal BCC-FA | |
|---|---|
| formula | (C20H18NO4Cl)2·C4H4O4 |
| crystal size (mm) | 0.09 × 0.23 × 0.29 |
| description | needle |
| crystal system | triclinic |
| space group | P1̅ |
| unit cell parameters | a = 7.589(3) |
| b = 14.368(4) | |
| c = 18.561(5) | |
| (Å, deg) | α = 72.261(10) |
| β = 85.40(3) | |
| γ = 88.99(3) | |
| volume (Å3) | 1921.2(11) |
| Z | 2 |
| density (g/cm3) | 1.486 |
| theta range for data collection | 3.434 <θ < 72.493 |
| independent reflections | 6984 |
| reflections with I > 2σ(I) | 6200 |
| completeness | 93.3 |
| R(I > 2σI) | R = 0.0648 |
| wR2 = 0.1824 | |
| goodness-of-fit on F2 | 1.046 |
| CCDC deposition no. | 1,973,683 |