Information card for entry 4036935

Structure parameters

• Formula: C27 H27 N O2 S
• Calculated formula: C27 H27 N O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N1C2=C(CC[C@H]1CC)[C@H](c1c2cccc1)c1ccccc1.S(=O)(=O)(c1ccc(cc1)C)N1C2=C(CC[C@@H]1CC)[C@@H](c1c2cccc1)c1ccccc1
• Title of publication: Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.
• Authors of publication: Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 8736 - 8743
• a: 10.3833 ± 0.0009 Å
• b: 10.4789 ± 0.001 Å
• c: 10.8297 ± 0.0009 Å
• α: 103.353 ± 0.004°
• β: 96.832 ± 0.004°
• γ: 90.812 ± 0.005°
• Cell volume: 1137.28 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No