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Information card for entry 4116502
Preview
| Coordinates | 4116502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H76 Cl2 O4 Si Ti |
|---|---|
| Calculated formula | C54 H76 Cl2 O4 Si Ti |
| Title of publication | Highly Regioselective Alkyne Cyclotrimerization Catalyzed by Titanium Complexes Supported by Proximally Bridged p-tert-Butylcalix[4]arene Ligands |
| Authors of publication | Oleg V. Ozerov; Folami T. Ladipo; Brian O. Patrick |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 7941 - 7942 |
| a | 20.75 ± 0.001 Å |
| b | 17.0434 ± 0.0009 Å |
| c | 17.1877 ± 0.0009 Å |
| α | 90° |
| β | 124.79 ± 0.01° |
| γ | 90° |
| Cell volume | 4991.9 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1549 |
| Residual factor for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections | 0.2649 |
| Weighted residual factors for significantly intense reflections | 0.2505 |
| Goodness-of-fit parameter for all reflections | 1.194 |
| Goodness-of-fit parameter for significantly intense reflections | 1.258 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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