Information card for entry 7159053

Structure parameters

• Formula: C31 H30 Br N O9 S
• Calculated formula: C31 H30 Br N O9 S
• Title of publication: Three-component acyloxylation of diazo compounds with carboxylic acids and azadienes.
• Authors of publication: Lin, Meng-Ling; Zheng, Ting; Liu, Hao; Wang, Ying-Xu; Dong, Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 925 - 929
• a: 10.0935 ± 0.0001 Å
• b: 13.2224 ± 0.0001 Å
• c: 28.2845 ± 0.0002 Å
• α: 90°
• β: 93.901 ± 0.001°
• γ: 90°
• Cell volume: 3766.11 ± 0.05 ų
• Cell temperature: 298.3 ± 0.3 K
• Ambient diffraction temperature: 298.3 ± 0.3 K
• Number of distinct elements: 6
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No