Information card for entry 4519358

Structure parameters

• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: O=C(n1c2ccccc2c(c1c1ccccc1)C)C#Cc1ccccc1
• 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: 6.264 ± 0.0002 Å
• b: 17.8352 ± 0.0005 Å
• c: 15.8767 ± 0.0004 Å
• α: 90°
• β: 97.605 ± 0.0011°
• γ: 90°
• Cell volume: 1758.14 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No