Information card for entry 1553207

Structure parameters

• Formula: C36 H29 Cl O6
• Calculated formula: C36 H29 Cl O6
• SMILES: C1(=O)[C@H]2[C@@H](C(C[C@H]2C=C(c2ccccc2)O1)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(cc1)Cl
• Title of publication: Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters
• Authors of publication: Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 145
• a: 6.2154 ± 0.0003 Å
• b: 20.2473 ± 0.0013 Å
• c: 22.9882 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0801
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No