Information card for entry 7135036

Structure parameters

• Formula: C21 H21 Cl N4 O4
• Calculated formula: C21 H21 Cl N4 O4
• Title of publication: Rh(III)-catalyzed cyclization of 5-amino-pyrazoles with maleimides to pyrazoloquinazolines.
• Authors of publication: Guo, Ting-Ting; Zhao, Qing-Sheng; Yang, Shu; Chen, Tian-Tian; Liu, Jin; Yan, Sheng-Jiao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16846 - 16849
• a: 9.5672 ± 0.0009 Å
• b: 35.984 ± 0.003 Å
• c: 5.9462 ± 0.0004 Å
• α: 90°
• β: 95.563 ± 0.003°
• γ: 90°
• Cell volume: 2037.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No