Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7206021
7206020 << 7206021 >> 7206022Preview
|
Coordinates |
7206021.cif |
Structure parameters
| Formula | - C60 H72 O8 - |
| Calculated formula | - C60 H68 O8 - |
| Title of publication | Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies |
| Authors of publication | Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 3979 |
| a | 33.6784 ± 0.0009 Å |
| b | 25.4699 ± 0.0007 Å |
| c | 19.5175 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16741.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P n n a |
| Hall symmetry space group | -P 2a 2bc |
| Residual factor for all reflections | 0.0817 |
| Residual factor for observed reflections | 0.065 |
| Weighted residual factors for the observed reflections | 0.1726 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for observed reflections | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |