Information card for entry 7250788

Structure parameters

• Formula: C21 H16 N4 O2
• Calculated formula: C21 H16 N4 O2
• Title of publication: I2-DMSO mediated multi-component cascade cyclization to construct pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6-one skeleton
• Authors of publication: Song, Yu-Man; Wang, Li-Sheng; Zhou, You; Tang, Yong-Xing; Wu, Chun-Yan; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 28280 - 28284
• a: 14.613 ± 0.003 Å
• b: 10.293 ± 0.002 Å
• c: 11.665 ± 0.003 Å
• α: 90°
• β: 94.435 ± 0.004°
• γ: 90°
• Cell volume: 1749.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No