Information card for entry 1553546

Structure parameters

• Formula: C24 H28 O8
• Calculated formula: C24 H28 O8
• SMILES: O=C(OC)c1c(/C(=C\2CC(C/C2=C(\C)CC)(C(=O)OC)C(=O)OC)C(=O)OC)cccc1
• Title of publication: Nickel-catalyzed alkyl-zincation and carboxylation of diynes
• Authors of publication: Cao, Tao; Ma, Shengming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1711
• a: 16.1503 ± 0.0018 Å
• b: 8.3426 ± 0.0009 Å
• c: 18.1574 ± 0.0019 Å
• α: 90°
• β: 108.184 ± 0.002°
• γ: 90°
• Cell volume: 2324.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No