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CIF Information Card
Information card for 4114439
4114438 << 4114439 >> 4114440Preview
|
Coordinates |
4114439.cif |
Structure parameters
| Formula | - C32 H32 N4 O6 - |
| Calculated formula | - C32 H32 N4 O6 - |
| Title of publication | Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests |
| Authors of publication | Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14972 - 14973 |
| a | 9.3219 ± 0.0004 Å |
| b | 21.8875 ± 0.001 Å |
| c | 13.9573 ± 0.0007 Å |
| α | 90° |
| β | 100.853 ± 0.001° |
| γ | 90° |
| Cell volume | 2796.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0758 |
| Residual factor for observed reflections | 0.0652 |
| Weighted residual factors for the observed reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for observed reflections | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |