Information card for entry 4026316

Structure parameters

• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• SMILES: COC(=O)[C@]12C(=O)O[C@@H]3CCCC[C@H]1[C@@H]3c1c(C2)cc(cc1OC)OC.COC(=O)[C@@]12C(=O)O[C@H]3CCCC[C@@H]1[C@H]3c1c(C2)cc(cc1OC)OC
• Title of publication: Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes
• Authors of publication: Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4027 - 4033
• a: 8.5409 ± 0.0005 Å
• b: 9.9028 ± 0.0007 Å
• c: 12.1158 ± 0.0009 Å
• α: 65.82 ± 0.005°
• β: 89.73 ± 0.004°
• γ: 73.515 ± 0.003°
• Cell volume: 889.09 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1474
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No