Information card for entry 7160132

Structure parameters

• Formula: C100 H80 Cl4 N8 O8
• Calculated formula: C100 H84 Cl4 N8 O8
• Title of publication: Rh(III)-catalyzed [4 + 1] annulation of 1-arylindazolones with alkynyl cyclobutanols: access to indazolo[1,2-<i>a</i>]indazolones.
• Authors of publication: Hu, Jiang; Liu, Jidan; Cui, Wenwen; Zheng, Liyao; Wang, Renjie; Liu, Zhao-Qing; Pu, Shouzhi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 6500 - 6505
• a: 8.944 ± 0.003 Å
• b: 19.542 ± 0.007 Å
• c: 12.592 ± 0.004 Å
• α: 90°
• β: 100.017 ± 0.007°
• γ: 90°
• Cell volume: 2167.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2093
• Residual factor for significantly intense reflections: 0.15
• Weighted residual factors for significantly intense reflections: 0.359
• Weighted residual factors for all reflections included in the refinement: 0.3784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No