Information card for entry 4110027

Structure parameters

• Formula: C24 H32 O5
• Calculated formula: C24 H32 O5
• SMILES: O([C@H]([C@@H]1[C@H](CC(C1)(C(=O)OC)C(=O)OC)C=C1CCCCC1)c1ccccc1)C.O([C@@H]([C@H]1[C@@H](CC(C1)(C(=O)OC)C(=O)OC)C=C1CCCCC1)c1ccccc1)C
• Title of publication: Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes
• Authors of publication: Michael R. Luzung; Pablo Mauleón; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12402 - 12403
• a: 7.597 ± 0.003 Å
• b: 10.378 ± 0.004 Å
• c: 15.152 ± 0.006 Å
• α: 99.237 ± 0.007°
• β: 98.206 ± 0.006°
• γ: 94.922 ± 0.006°
• Cell volume: 1159.8 ± 0.8 ų
• Cell temperature: 100.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.821
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No