Information card for entry 7206583

Structure parameters

• Common name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H- pyrido(3,2,1-jk)carbazole
• Chemical name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H-pyrido[3,2,1-jk]carbazole
• Formula: C28 H24 Cl N
• Calculated formula: C28 H24 Cl N
• SMILES: Clc1ccc([C@@H]2[C@H]3CCCc4c5c(n(C(=C2)c2ccc(cc2)C)c34)cccc5)cc1.Clc1ccc([C@H]2[C@@H]3CCCc4c5c(n(C(=C2)c2ccc(cc2)C)c34)cccc5)cc1
• Title of publication: A facile, water mediated, microwave-assisted synthesis of 4,6-diaryl-2,3,3a,4-tetrahydro-1H-pyrido[3,2,1-jk]carbazoles by a domino Fischer indole reaction‒intramolecular cyclization sequence
• Authors of publication: Chitra, Selvam; Paul, Nidhin; Muthusubramanian, Shanmugam; Manisankar, Paramasivam
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2777
• a: 9.3488 ± 0.0017 Å
• b: 9.504 ± 0.003 Å
• c: 13.036 ± 0.003 Å
• α: 74.37 ± 0.02°
• β: 72.819 ± 0.017°
• γ: 84.648 ± 0.018°
• Cell volume: 1065.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No