Information card for entry 7158950

Structure parameters

• Formula: C28 H22 N4 O
• Calculated formula: C28 H22 N4 O
• Title of publication: Hypervalent Iodine(III)-Mediated Oxidative Dearomatization of 2H-Indazoles towards Indazolyl Indazolones
• Authors of publication: Bhattacharjee, Suvam; Laru, Sudip; Hajra, Alakananda
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.1723 ± 0.0004 Å
• b: 10.9238 ± 0.0005 Å
• c: 12.8796 ± 0.0006 Å
• α: 65.036 ± 0.001°
• β: 78.334 ± 0.001°
• γ: 71.536 ± 0.001°
• Cell volume: 1106.17 ± 0.09 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No