Information card for entry 7160479

Structure parameters

• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• Title of publication: A domino decarboxylative alkylation/annulation for the synthesis of pyrrolo-benzimidazolones.
• Authors of publication: Raji Reddy, Chada; Sai Prakash, Kolli; Srinivasu, Ejjirotu; Subbarao, Muppidi; Balaji, Shiva Kumar Kota
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 3358 - 3365
• a: 12.363 ± 0.003 Å
• b: 9.134 ± 0.002 Å
• c: 14.586 ± 0.003 Å
• α: 90°
• β: 91.078 ± 0.01°
• γ: 90°
• Cell volume: 1646.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1064
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No