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CIF Information Card
Information card for 7101763
7101762 << 7101763 >> 7101764Preview
|
Coordinates |
7101763.cif |
Structure parameters
| Common name | compound 7 |
| Formula | - C40 H26 N6 O4 - |
| Calculated formula | - C40 H26 N6 O4 - |
| Title of publication | Oxacalixarenes and oxacyclophanes containing 1,8-naphthyridines: a new class of molecular tweezers with concave-surface functionality. |
| Authors of publication | Katz, Jeffrey L; Geller, Bram J; Foster, Peter D |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 10 |
| Pages of publication | 1026 - 1028 |
| a | 19.4444 ± 0.0015 Å |
| b | 9.3321 ± 0.0007 Å |
| c | 20.5331 ± 0.0016 Å |
| α | 90° |
| β | 118.049 ± 0.001° |
| γ | 90° |
| Cell volume | 3288.3 ± 0.4 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0957 |
| Residual factor for observed reflections | 0.0534 |
| Weighted residual factors for the observed reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for observed reflections | 0.924 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |