Information card for entry 7124738

Structure parameters

• Formula: C18 H16 N2 O2 S
• Calculated formula: C18 H16 N2 O2 S
• Title of publication: Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.
• Authors of publication: Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 76
• Pages of publication: 11434 - 11437
• a: 8.4209 ± 0.0005 Å
• b: 28.5775 ± 0.0016 Å
• c: 6.9049 ± 0.0004 Å
• α: 90°
• β: 101.544 ± 0.002°
• γ: 90°
• Cell volume: 1628.04 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No