Information card for entry 7157341

Structure parameters

• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• Title of publication: Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C₂ position of indole.
• Authors of publication: Chandrasekhar, Attoor; Sankararaman, Sethuraman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1612 - 1622
• a: 6.928 ± 0.0002 Å
• b: 10.494 ± 0.0003 Å
• c: 15.399 ± 0.0004 Å
• α: 90°
• β: 102.976 ± 0.001°
• γ: 90°
• Cell volume: 1090.96 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No