Information card for entry 7228350

Structure parameters

• 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 ų
• 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