Information card for entry 7123747

Structure parameters

• Formula: C25 H25 F3 N2 O7 S2
• Calculated formula: C25 H25 F3 N2 O7 S2
• Title of publication: Alkyne aza-Prins cyclization of N-(hexa-3,5-diynyl) tosylamides with aldehydes using triflic acid and binuclear aluminum complex
• Authors of publication: Kobayashi, Naoko; Kaneko, Kazuma; Amemiya, Sho; Noguchi, Keiichi; Yamanaka, Masahiro; Saito, Akio
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.2055 ± 0.0003 Å
• b: 8.4329 ± 0.0002 Å
• c: 20.7092 ± 0.0004 Å
• α: 90°
• β: 92.719 ± 0.001°
• γ: 90°
• Cell volume: 2652.48 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No