Information card for entry 7160064

Structure parameters

• Formula: C12 H11 N O4
• Calculated formula: C12 H11 N O4
• Title of publication: Palladium nanoparticle catalyzed synthesis of indoles <i>via</i> intramolecular Heck cyclisation.
• Authors of publication: Sarmah, Debasish; Choudhury, Anup; Bora, Utpal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 31
• Pages of publication: 6419 - 6431
• a: 33.45 ± 0.02 Å
• b: 33.45 ± 0.02 Å
• c: 5.541 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5369 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No