Information card for entry 7160454

Structure parameters

• Formula: C20 H13 N3 O
• Calculated formula: C20 H13 N3 O
• 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: 13.5858 ± 0.0008 Å
• b: 7.0142 ± 0.0004 Å
• c: 19.7041 ± 0.0011 Å
• α: 90°
• β: 95.905 ± 0.002°
• γ: 90°
• Cell volume: 1867.71 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0763
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No