Information card for entry 1554317

Structure parameters

• Formula: C23 H20 Br N O2 S
• Calculated formula: C23 H20 Br N O2 S
• Title of publication: Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes
• Authors of publication: Jiang, Bo; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 2091
• a: 10.0726 ± 0.0019 Å
• b: 10.735 ± 0.002 Å
• c: 19.604 ± 0.004 Å
• α: 82.045 ± 0.004°
• β: 86.428 ± 0.005°
• γ: 81.212 ± 0.005°
• Cell volume: 2072.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No