Information card for entry 7160453

Structure parameters

• Formula: C19 H13 N3 O2
• Calculated formula: C19 H13 N3 O2
• Title of publication: Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones.
• Authors of publication: Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 3913 - 3924
• a: 10.4772 ± 0.0006 Å
• b: 22.4464 ± 0.0013 Å
• c: 9.0718 ± 0.0004 Å
• α: 90°
• β: 96.262 ± 0.002°
• γ: 90°
• Cell volume: 2120.7 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0826
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No