Crystal Structure of Theophylline
| Id | 4505532 |
| Common name | Theophylline |
| a (Å) | 13.087(2) |
| b (Å) | 15.579(3) |
| c (Å) | 3.8629(6) |
| α (°) | 90.00 |
| β (°) | 90.00 |
| γ (°) | 90.00 |
| V (Å3) | 787.6(2) |
| Space group | P n a 21 |
| Temperature (K) | 120(2) |
| Rint | 0.0786 |
Publication: Crystal Growth & Design (2012) 12, 3 1395