Information card for entry 4033104

Structure parameters

• Formula: C31 H27 N O4
• Calculated formula: C31 H27 N O4
• SMILES: n1c(c2c(c3c1c1ccccc1cc3)c1c(CC2)cc(OC)cc1)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.
• Authors of publication: Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12416 - 12429
• a: 8.4733 ± 0.001 Å
• b: 8.8139 ± 0.001 Å
• c: 32.111 ± 0.003 Å
• α: 90°
• β: 92.043 ± 0.011°
• γ: 90°
• Cell volume: 2396.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1216
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No