Information card for entry 7157339

Structure parameters

• Formula: C19 H18 N2 O
• Calculated formula: C19 H18 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: 10.6986 ± 0.0005 Å
• b: 11.3012 ± 0.0005 Å
• c: 14.4283 ± 0.0006 Å
• α: 81.323 ± 0.003°
• β: 89.73 ± 0.003°
• γ: 61.927 ± 0.002°
• Cell volume: 1517.22 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No