Information card for entry 4036639

Structure parameters

• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: O1c2c(c3nc4n(c3C1=O)cc(cc4)C)cccc2
• Title of publication: Synthesis of Indeno[1',2':4,5]imidazo[1,2-a]pyridin-11-ones and Chromeno[4',3':4,5]imidazo[1,2-a]pyridin-6-ones through Palladium-Catalyzed Cascade Reactions of 2-(2-Bromophenyl)imidazo[1,2-a]pyridines.
• Authors of publication: Zhang, Ju; Zhang, Xinying; Fan, Xuesen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 3206 - 3213
• a: 5.4955 ± 0.0015 Å
• b: 8.697 ± 0.002 Å
• c: 24.108 ± 0.007 Å
• α: 90°
• β: 91.925 ± 0.004°
• γ: 90°
• Cell volume: 1151.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0776
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No