Information card for entry 7129429

Structure parameters

• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 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: 8.0248 ± 0.0003 Å
• b: 9.5325 ± 0.0005 Å
• c: 10.9187 ± 0.0005 Å
• α: 82.054 ± 0.002°
• β: 77.986 ± 0.002°
• γ: 69.701 ± 0.002°
• Cell volume: 764.22 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No