Information card for entry 7130813

Structure parameters

• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• Title of publication: Reactions of thioalkynes with diarylketenes <i>via</i> [3+2]-annulation <i>versus</i> benzannulation using Au and P(C₆F₅)₃ catalysts.
• Authors of publication: More, Sayaji Arjun; Sadaphal, Vikas Ashokrao; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 72
• Pages of publication: 10064 - 10067
• a: 8.5967 ± 0.0008 Å
• b: 8.8188 ± 0.0008 Å
• c: 11.0107 ± 0.0011 Å
• α: 82.083 ± 0.005°
• β: 74.736 ± 0.005°
• γ: 63.889 ± 0.004°
• Cell volume: 722.88 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No