Information card for entry 7159452

Structure parameters

• Formula: C31 H34 O4 S
• Calculated formula: C31 H34 O4 S
• SMILES: S(=O)(=O)(/C=C/c1oc2c(c1c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cccc2)c1ccc(cc1)C
• Title of publication: Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.
• Authors of publication: Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5387 - 5397
• a: 17.6839 ± 0.0009 Å
• b: 11.2101 ± 0.0006 Å
• c: 15.0773 ± 0.0007 Å
• α: 90°
• β: 106.593 ± 0.002°
• γ: 90°
• Cell volume: 2864.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No