Information card for entry 7249694

Structure parameters

• Formula: C29 H23 N O3 S
• Calculated formula: C29 H23 N O3 S
• Title of publication: Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles
• Authors of publication: Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 1062 - 1072
• a: 32.4449 ± 0.0014 Å
• b: 8.4715 ± 0.0003 Å
• c: 17.0615 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4689.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No