Information card for entry 4032599

Structure parameters

• Formula: C20 H19 N O2 S
• Calculated formula: C20 H19 N O2 S
• SMILES: n1(c2CCC=CCc2c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
• Title of publication: One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.
• Authors of publication: Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 6729 - 6737
• a: 16.978 ± 0.005 Å
• b: 11.307 ± 0.003 Å
• c: 18.072 ± 0.005 Å
• α: 90°
• β: 100.741 ± 0.015°
• γ: 90°
• Cell volume: 3408.5 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0987
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No