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Information card for entry 7228350
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| Coordinates | 7228350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3,5-tris(2-(tert-Butyl)pyrazolo[1,5-a]pyrimidin-7-yl)benzene |
|---|---|
| Formula | C150 H162 N36 |
| Calculated formula | C150 H162 N36 |
| Title of publication | Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence |
| Authors of publication | Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 45 |
| Pages of publication | 28483 |
| a | 14.6829 ± 0.0003 Å |
| b | 14.6829 ± 0.0003 Å |
| c | 57.9972 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10828.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.2033 |
| Weighted residual factors for all reflections included in the refinement | 0.2055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197130 (current) | 2017-06-01 | cif/ Adding structures of 7228349, 7228350 via cif-deposit CGI script. |
7228350.cif |
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Users of the data should acknowledge the original authors of the
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