Information card for entry 7130814

Structure parameters

• Formula: C24 H20 O2 S
• Calculated formula: C24 H20 O2 S
• 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: 13.9643 ± 0.0003 Å
• b: 10.0272 ± 0.0002 Å
• c: 13.369 ± 0.0003 Å
• α: 90°
• β: 96.154 ± 0.002°
• γ: 90°
• Cell volume: 1861.18 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No