Information card for entry 7153475

Structure parameters

• Formula: C96 H90 Br4 N4 O17 S4
• Calculated formula: C96 H90 Br4 N4 O17 S4
• Title of publication: Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.
• Authors of publication: Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 19
• Pages of publication: 4236 - 4239
• a: 39.577 ± 0.012 Å
• b: 6.966 ± 0.002 Å
• c: 18.429 ± 0.006 Å
• α: 90°
• β: 116.465 ± 0.004°
• γ: 90°
• Cell volume: 4548 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1108
• 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