Information card for entry 7129430

Structure parameters

• Formula: C14 H9 I N2 O
• Calculated formula: C14 H9 I N2 O
• Title of publication: Unorthodox cascade reaction of arynes and N-nitrosamides leading to indazole scaffolds
• Authors of publication: Sureshbabu, Popuri; Bhajammanavar, Vinod; Subramanian, Venkatesan; Choutipalli, Venkata Surya Kumar; Baidya, Mahiuddin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 4.3661 ± 0.0004 Å
• b: 23.242 ± 0.002 Å
• c: 12.7698 ± 0.0012 Å
• α: 90°
• β: 95.256 ± 0.003°
• γ: 90°
• Cell volume: 1290.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No