Information card for entry 4519357

Structure parameters

• Formula: C29 H19 N O
• Calculated formula: C29 H19 N O
• Title of publication: Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.
• Authors of publication: Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 5713 - 5729
• a: 10.0432 ± 0.0003 Å
• b: 9.4172 ± 0.0003 Å
• c: 22.1188 ± 0.0006 Å
• α: 90°
• β: 98.0439 ± 0.0009°
• γ: 90°
• Cell volume: 2071.39 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No