Information card for entry 7130812

Structure parameters

• Formula: C24 H20 O2 S
• Calculated formula: C24 H20 O2 S
• SMILES: S(c1c(c2ccc(OC)cc2)c2c(c(O)c1)cccc2)c1ccc(C)cc1
• 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: 5.8791 ± 0.0003 Å
• b: 14.5329 ± 0.0006 Å
• c: 22.0105 ± 0.0009 Å
• α: 90°
• β: 96.175 ± 0.003°
• γ: 90°
• Cell volume: 1869.67 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No