Information card for entry 7159453

Structure parameters

• Formula: C37 H39 N O5 S2
• Calculated formula: C37 H39 N O5 S2
• 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: 10.294 ± 0.002 Å
• b: 19.579 ± 0.004 Å
• c: 17.114 ± 0.003 Å
• α: 90°
• β: 99.109 ± 0.008°
• γ: 90°
• Cell volume: 3405.8 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No