Information card for entry 4519356

Structure parameters

• Formula: C26 H21 N O4
• Calculated formula: C26 H21 N O4
• SMILES: O=c1n(c2c(c(c1C(=O)c1ccccc1)C)cccc2)C(c1ccccc1)C(=O)OC
• 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: 8.7961 ± 0.0001 Å
• b: 16.2533 ± 0.0003 Å
• c: 14.8259 ± 0.0002 Å
• α: 90°
• β: 93.4435 ± 0.0005°
• γ: 90°
• Cell volume: 2115.77 ± 0.05 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: 0.0472
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No