Information card for entry 1503627

Structure parameters

• Formula: C16 H10 Br2 O4
• Calculated formula: C16 H10 Br2 O4
• Title of publication: Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.
• Authors of publication: Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1158 - 1161
• a: 17.325 ± 0.01 Å
• b: 4.393 ± 0.003 Å
• c: 20.866 ± 0.012 Å
• α: 90°
• β: 92.132 ± 0.008°
• γ: 90°
• Cell volume: 1587 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No