Information card for entry 7160083

Structure parameters

• Formula: C19 H25 N3 O2
• Calculated formula: C19 H25 N3 O2
• Title of publication: Combinatorial synthesis of substituted pyrazolo-fused quinazolines by the Rh(III)-catalyzed [5 + 1] annulation of phenyl-1<i>H</i>-pyrazol-5-amine with alkynoates and alkynamides.
• Authors of publication: Chiu, Wei-Jung; Chu, Ting-Yen; Sun, Chung-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 6841 - 6846
• a: 10.83365 ± 0.00016 Å
• b: 14.19083 ± 0.00019 Å
• c: 11.90925 ± 0.00015 Å
• α: 90°
• β: 97.2955 ± 0.0013°
• γ: 90°
• Cell volume: 1816.09 ± 0.04 ų
• Cell temperature: 103 ± 6 K
• Ambient diffraction temperature: 103 ± 6 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No