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Information card for entry 4116529
Preview
| Coordinates | 4116529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H46 Cl2 N4 O4 |
|---|---|
| Calculated formula | C47 H46 Cl2 N4 O4 |
| Title of publication | Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes |
| Authors of publication | Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 8182 - 8192 |
| a | 10.023 ± 0.001 Å |
| b | 13.922 ± 0.002 Å |
| c | 16.577 ± 0.002 Å |
| α | 74.555 ± 0.009° |
| β | 86.062 ± 0.009° |
| γ | 79.597 ± 0.01° |
| Cell volume | 2192.5 ± 0.5 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.1011 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Goodness-of-fit parameter for significantly intense reflections | 1.69 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.