Information card for entry 1506986

Structure parameters

• Formula: C27 H30 O6
• Calculated formula: C27 H30 O6
• Title of publication: Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.
• Authors of publication: Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3569 - 3571
• a: 9.973 ± 0.0005 Å
• b: 11.377 ± 0.001 Å
• c: 10.87 ± 0.001 Å
• α: 94.578 ± 0.004°
• β: 99.652 ± 0.005°
• γ: 104.643 ± 0.005°
• Cell volume: 1166.7 ± 0.16 ų
• Cell temperature: 298 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: 0.173
• Residual factor for significantly intense reflections: 0.167
• Weighted residual factors for all reflections: 0.486
• Weighted residual factors for significantly intense reflections: 0.486
• Weighted residual factors for all reflections included in the refinement: 0.486
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for significantly intense reflections: 1.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No