Information card for entry 4033102

Structure parameters

• Formula: C25 H29 N O
• Calculated formula: C25 H29 N O
• SMILES: O(c1ccc2nc(c3c(c2c1)CCC(C3)C(C)(C)C)c1ccc(cc1)C)C
• 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: 6.2831 ± 0.0007 Å
• b: 12.7652 ± 0.0014 Å
• c: 13.3011 ± 0.0014 Å
• α: 83.604 ± 0.008°
• β: 84.3 ± 0.009°
• γ: 89.56 ± 0.009°
• Cell volume: 1054.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No