Information card for entry 8107479

Structure parameters

• Chemical name: 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate)
• Formula: C20 H17 Br O6 S2
• Calculated formula: C20 H17 Br O6 S2
• Title of publication: The crystal structure of 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate), C20H17BrO6S2
• Authors of publication: Chen, Jue-Yuan; Zou, Long-Sheng; Lai, Ni; Yin, Zi-Yi; Yuan, Lin; Li, Zhong-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 503 - 505
• a: 8.173 ± 0.002 Å
• b: 8.256 ± 0.002 Å
• c: 16.514 ± 0.005 Å
• α: 89.947 ± 0.003°
• β: 83.105 ± 0.003°
• γ: 72.077 ± 0.003°
• Cell volume: 1051.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No