Information card for entry 7160850

Structure parameters

• Chemical name: 5,6-dichloro-2-(tetrahydro-1l4-thiophen-1-ylidene)-1H-indene-1,3(2H)-dione
• Formula: C13 H10 Cl2 O2 S
• Calculated formula: C13 H10 Cl2 O2 S
• Title of publication: Unconventional Synthetic Pathway of Alkynyl Sulfonium Ylides with Aromatic Acid Anhydrides Leading to the Formation of Sulfonium Diacylmethylide Frameworks
• Authors of publication: LIU, EVONNE; Chandrasekar, Lavanya; Pan, Bo-Xuan; Yun-Zhen, Hsieh; Liu, Wei-Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 10.4636 ± 0.0005 Å
• b: 15.3707 ± 0.0007 Å
• c: 8.6501 ± 0.0003 Å
• α: 90°
• β: 114.626 ± 0.001°
• γ: 90°
• Cell volume: 1264.68 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No