Information card for entry 7244626

Structure parameters

• Formula: C87 H71 Cl8 N8 O4 S4
• Calculated formula: C87 H71 Cl8 N8 O4 S4
• Title of publication: Synthesis of β-hydroxysulfides via visible-light-driven and EDA complex-promoted hydroxysulfenylation of styrenes with heterocyclic thiols in EtOH under photocatalyst-free conditions
• Authors of publication: Chen, Ziren; Xue, Fei; Liu, Tianxiang; Wang, Bin; Zhang, Yonghong; Jin, Weiwei; Xia, Yu; Liu, Chenjiang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 3250 - 3256
• a: 24.764 ± 0.005 Å
• b: 12.538 ± 0.003 Å
• c: 13.43 ± 0.003 Å
• α: 90°
• β: 91.148 ± 0.003°
• γ: 90°
• Cell volume: 4169.1 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No