Information card for entry 1506984

Structure parameters

• Formula: C28 H34 O6
• Calculated formula: C28 H34 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: 14.929 ± 0.002 Å
• b: 5.821 ± 0.0003 Å
• c: 21.044 ± 0.002 Å
• α: 90°
• β: 133.076 ± 0.01°
• γ: 90°
• Cell volume: 1335.8 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.141
• Weighted residual factors for all reflections: 0.318
• Weighted residual factors for significantly intense reflections: 0.315
• Weighted residual factors for all reflections included in the refinement: 0.315
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No