Information card for entry 7134417

Structure parameters

• Chemical name: BDN_541
• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• Title of publication: Rh-catalyzed [3+3]-annulation of quinolines with cyclopropenones: access to functionalized 2-quinolones
• Authors of publication: Debnath, Bijoy; Mandal, Santu; Saha, Sharajit; Karjee, Pallab; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 43
• Pages of publication: 7875 - 7878
• a: 6.918 ± 0.0007 Å
• b: 16.8553 ± 0.0017 Å
• c: 29.099 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3393.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No