Information card for entry 4030964

Structure parameters

• Formula: C20 H18 N S
• Calculated formula: C20 H18 N S
• SMILES: S1C=C[C@@](c2c1n(c1ccccc21)c1ccccc1)(C=C)C
• Title of publication: Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones.
• Authors of publication: Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 5272 - 5278
• a: 8.88 ± 0.0016 Å
• b: 10.855 ± 0.003 Å
• c: 16.771 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1616.6 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No