Information card for entry 4131210

Structure parameters

• Formula: C30 H32 O6
• Calculated formula: C30 H32 O6
• Title of publication: Diols, α-Ketols, and Diones as 2_2π Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.
• Authors of publication: Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16244 - 16247
• a: 12.0712 ± 0.0018 Å
• b: 13.679 ± 0.002 Å
• c: 15.741 ± 0.002 Å
• α: 81.46 ± 0.003°
• β: 84.332 ± 0.004°
• γ: 73.752 ± 0.003°
• Cell volume: 2463.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction 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: 0.073
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No