Information card for entry 4036934

Structure parameters

• Formula: C26 H25 N O2 S
• Calculated formula: C26 H25 N O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N1C2=C(CCC1)C(c1ccc(cc1)C)c1c2cccc1
• 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: 14.904 ± 0.003 Å
• b: 14.88 ± 0.003 Å
• c: 21.229 ± 0.004 Å
• α: 90°
• β: 107.246 ± 0.005°
• γ: 90°
• Cell volume: 4496.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1537
• 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