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Information card for entry 4060193
Preview
| Coordinates | 4060193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 N6 O2 |
|---|---|
| Calculated formula | C30 H22 N6 O2 |
| Title of publication | Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands |
| Authors of publication | Tomasz Fekner; Judith Gallucci; Michael K. Chan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 223 - 236 |
| a | 16.046 ± 0.004 Å |
| b | 7.434 ± 0.002 Å |
| c | 20.025 ± 0.005 Å |
| α | 90° |
| β | 100.42 ± 0.02° |
| γ | 90° |
| Cell volume | 2349.3 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections | 0.1709 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Goodness-of-fit parameter for all reflections | 1.333 |
| Goodness-of-fit parameter for significantly intense reflections | 1.408 |
| 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.