Table 4.
X-ray data collection and refinement statistics of a CMM crystal.
| Empirical formula | C72H150O75 or C72H120O60·15H2O |
| Formula weight (g mol−1) | 2215.93 |
| Crystal size (mm) | 0.340 × 0.060 × 0.020 |
| Crystal color and shape | Colorless, prism |
| Temperature (K) | 100 |
| Radiation (λ, Å) | 0.71075 |
| Crystal system | Monoclinic |
| Space group | P21 (4) |
| a (Å) | 0.4366 (18) |
| b (Å) | 21.595 (5) |
| c (Å) | 22.159 (3) |
| β (°) | 91.671 (11) |
| V (Å3) | 4992.0 (16) |
| Z | 2 |
| dcalcd (g/cm3) | 1.474 |
| R(int) | 0.1350 |
| No. of observations (all reflections) | 22,371 |
| Reflection/parameter ratio | 16.91 |
| Final R indices (I >2.00σ(I)) | R1 = 0.1463 |
| Final R indices (all data) | R = 0.1957 |
| wR2 = 0.3963 | |
| Goodness of fit | 1.091 |