Information card for entry 7160798

Structure parameters

• Formula: C13 H9 N O3
• Calculated formula: C13 H9 N O3
• Title of publication: Transition-metal and photocatalyst-free oxidative cleavage of aryl alkynes with PIDA/iminoiodinanes in visible light.
• Authors of publication: Rajat, ?; Jain, Nidhi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 45
• Pages of publication: 10363 - 10369
• a: 8.146 ± 0.004 Å
• b: 17.38 ± 0.008 Å
• c: 7.782 ± 0.004 Å
• α: 90°
• β: 92.193 ± 0.019°
• γ: 90°
• Cell volume: 1100.9 ± 0.9 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 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: 0.1289
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No