Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2013108
2013107 << 2013108 >> 2013109Preview
|
Coordinates |
2013108.cif |
|
Structure factors |
2013108.hkl |
Structure parameters
| Common name | Pyrazolo[3,4-d]pyrimidine |
| Formula | - C22 H29 N9 S3 - |
| Calculated formula | - C22 H29 N9 S3 - |
| Title of publication | Intermolecular stacking in pyrazolo[3,4-d]pyrimidine-based pentamethylene-linked flexible molecules |
| Authors of publication | Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o42 - o45 |
| a | 10.1195 ± 0.0008 Å |
| b | 11.865 ± 0.001 Å |
| c | 12.271 ± 0.001 Å |
| α | 70.563 ± 0.007° |
| β | 70.092 ± 0.008° |
| γ | 73.452 ± 0.007° |
| Cell volume | 1281.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |