Information card for entry 1555376

Structure parameters

• Formula: C24 H21 Br O6
• Calculated formula: C24 H21 Br O6
• SMILES: Brc1ccc([C@@H]2C(C[C@@H]3[C@H]2C(=O)OC(=C3)c2ccccc2)(C(=O)OC)C(=O)OC)cc1
• Title of publication: Enantioselective Synthesis of Bicyclic δ-Lactones via N-Heterocyclic Carbene-Catalyzed Cascade Reaction.
• Authors of publication: Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Han-Ming; Ye, Song
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5140 - 5143
• a: 6.625 ± 0.003 Å
• b: 10.223 ± 0.004 Å
• c: 31.029 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2101.5 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No