Information card for entry 7227554

Structure parameters

• Formula: C24 H24 N0 O2 S Se
• Calculated formula: C24 H24 O2 S Se
• SMILES: [Se](/C(=C(S(=O)(=O)c1ccc(cc1)C)\CCC)c1ccccc1)c1ccccc1
• Title of publication: Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway
• Authors of publication: Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin
• Journal of publication: Green Chem.
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1490
• a: 8.7143 ± 0.0017 Å
• b: 10.963 ± 0.002 Å
• c: 12.352 ± 0.003 Å
• α: 91.21 ± 0.03°
• β: 95.23 ± 0.03°
• γ: 108.64 ± 0.03°
• Cell volume: 1111.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No