Information card for entry 7249695

Structure parameters

• Formula: C36 H29 N O5 S2
• Calculated formula: C36 H29 N O5 S2
• 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: 10.0336 ± 0.0002 Å
• b: 11.9429 ± 0.0002 Å
• c: 13.2152 ± 0.0002 Å
• α: 87.388 ± 0.001°
• β: 78.345 ± 0.001°
• γ: 75.543 ± 0.001°
• Cell volume: 1501.8 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No