Information card for entry 4109931

Structure parameters

• Formula: C34 H36 O4
• Calculated formula: C34 H32 O4
• Title of publication: trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation
• Authors of publication: Xuefeng Jiang; Shengming Ma
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11600 - 11607
• a: 8.6809 ± 0.0014 Å
• b: 15.504 ± 0.002 Å
• c: 21.838 ± 0.003 Å
• α: 93.347 ± 0.004°
• β: 92.725 ± 0.004°
• γ: 94.441 ± 0.003°
• Cell volume: 2921.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2184
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No