Information card for entry 4033107

Structure parameters

• Formula: C28 H31 N
• Calculated formula: C28 H31 N
• SMILES: N1[C@@H]([C@@H]2C(=CC[C@H](C2)C(C)(C)C)c2c3c(ccc12)cccc3)c1ccc(cc1)C.N1[C@H]([C@H]2C(=CC[C@@H](C2)C(C)(C)C)c2c3c(ccc12)cccc3)c1ccc(cc1)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: 10.2452 ± 0.0008 Å
• b: 10.4468 ± 0.0008 Å
• c: 10.9779 ± 0.0009 Å
• α: 77.834 ± 0.007°
• β: 86.634 ± 0.007°
• γ: 71.187 ± 0.007°
• Cell volume: 1087.16 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No