Information card for entry 7159548

Structure parameters

• Formula: C34 H30 Br4 N2 O6 S2
• Calculated formula: C34 H30 Br4 N2 O6 S2
• Title of publication: Electrochemical bromocyclization enables 3,5-diversification of heterocyclic indolines.
• Authors of publication: Ren, Hai; Wang, Rui-An; Shi, Jun; Song, Jun-Rong; Wu, Wei; Chi, Qin; Zhang, Ni
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 7290 - 7294
• a: 8.1543 ± 0.0002 Å
• b: 10.425 ± 0.0002 Å
• c: 12.7925 ± 0.0003 Å
• α: 66.467 ± 0.001°
• β: 77.14 ± 0.001°
• γ: 80.707 ± 0.001°
• Cell volume: 968.81 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No