Information card for entry 7161153

Structure parameters

• Formula: C22 H14 I N3
• Calculated formula: C22 H14 I N3
• Title of publication: Microwave-assisted, acetic acid-catalyzed, metal-free synthesis of 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles <i>via</i> sequential C-C and C-N bond formation.
• Authors of publication: Dhar, Tiyasa; Bera, Debasish; Halder, Supriyo; Mukhopadhyay, Chhanda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 15
• Pages of publication: 3266 - 3273
• a: 11.4445 ± 0.0014 Å
• b: 9.3612 ± 0.0011 Å
• c: 17.933 ± 0.002 Å
• α: 90°
• β: 106.037 ± 0.004°
• γ: 90°
• Cell volume: 1846.5 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No