Information card for entry 7249253

Structure parameters

• Formula: C17 H14 S
• Calculated formula: C17 H14 S
• Title of publication: Acid-catalyzed regioselective remote heteroarylation of alkenes via CC bond migration
• Authors of publication: Qin, Shengxiang; Zhang, Yaqi; Jiang, Long; Tse, Man Kin; Chan, Albert S. C.; Qiu, Liqin
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 10299 - 10307
• a: 8.2038 ± 0.0009 Å
• b: 8.2643 ± 0.0009 Å
• c: 10.5638 ± 0.001 Å
• α: 105.06 ± 0.009°
• β: 106.146 ± 0.009°
• γ: 103.841 ± 0.01°
• Cell volume: 625.76 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0502
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No