Table 1. Test structures and crystallographic information.
Sample | Chemical formula | Atoms (ASU) | Space group | Ratio | Reference |
---|---|---|---|---|---|
1 | C12H10O3 | 15 | 5.4 | Howie et al. (2001 ▶) | |
2 | C30H32N2O6 | 19† | 14.4 | Sun et al. (2002 ▶) | |
3 | C34H42B2N2O4 | 21† | 25.6 | Kliegel, Amt et al. (2002 ▶) | |
4 | C42H56N2O2 | 23† | 12.4 | Lynch (2002 ▶) | |
5 | C44H38O4 | 24† | 20.8 | Vande Velde et al. (2002 ▶) | |
6 | C44H52N4·C2H5OH | 26† | 98.5 | Camiolo et al. (2001 ▶) | |
7 | C36H62 | 36 | 0.47 | Bragg et al. (2002 ▶) | |
8 | C30H22O6S | 37 | 4.1 | Krishnakumar et al. (2002 ▶) | |
9 | C34H26N2O | 37 | 81.8 | Zhuang et al. (2002 ▶) | |
10 | C24H12N6·4CHCl3 | 46 | 16.0 | Alfonso & Stoeckli-Evans (2001 ▶) | |
11 | C33H49B6N3O11·0.5C4H10O | 57.5 | 7.9 | Kliegel, Drückler et al. (2002 ▶) | |
12 | C41H78O11Si8 | 60 | 70.0 | Arnold & Blake (2001 ▶) | |
13 | C50H66O6·C3H7NO | 61 | 6.4 | Bryan & Levitskaia (2002 ▶) | |
14 | 3C40H32O2·4C6H6 | 75† | 44.5 | Ohba et al. (2002 ▶) | |
15 | C60H102N6O18 | 84 | 5.6 | Pletnev et al. (1980 ▶) |
Structures that crystallize with a crystallographic center of symmetry in the middle of the molecule. In such cases, the number of atoms in the asymmetric unit is half of the molecule.