Information card for entry 1555165

Structure parameters

• Formula: C17 H17 Br O5
• Calculated formula: C17 H17 Br O5
• SMILES: Br[C@H]1[C@@H]2OC(=O)[C@]3(C[C@H](O[C@@]13C)Cc1c2cccc1)C(=O)OC.Br[C@@H]1[C@H]2OC(=O)[C@@]3(C[C@@H](O[C@]13C)Cc1c2cccc1)C(=O)OC
• Title of publication: Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.
• Authors of publication: Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4184 - 4187
• a: 11.48 ± 0.002 Å
• b: 10.279 ± 0.002 Å
• c: 26.181 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3089.4 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No