Information card for entry 7152768

Structure parameters

• Formula: C26 H30 N2
• Calculated formula: C26 H30 N2
• SMILES: N1[C@H](c2ccc(cc2)C)C[C@@H](Nc2cc(cc(c2)C)C)c2c(cc(cc12)C)C
• Title of publication: Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.
• Authors of publication: Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 569 - 579
• a: 10.4429 ± 0.0003 Å
• b: 7.4627 ± 0.0002 Å
• c: 14.1231 ± 0.0004 Å
• α: 90°
• β: 93.253 ± 0.002°
• γ: 90°
• Cell volume: 1098.87 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No