Information card for entry 1553545

Structure parameters

• Formula: C25 H21 N O2 S
• Calculated formula: C25 H21 N O2 S
• SMILES: S1(=O)(=O)N(C2([C@H]3c4ccccc4C(=C3c3ccccc13)c1ccccc1)CC2)C
• Title of publication: Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides
• Authors of publication: Gong, Xinxing; Li, Guangming; Wu, Jie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 14
• a: 33.922 ± 0.006 Å
• b: 33.922 ± 0.006 Å
• c: 11.008 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10970 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No