Information card for entry 1506983

Structure parameters

• Formula: C21 H28 O4 Si
• Calculated formula: C21 H28 O4 Si
• 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: 10.319 ± 0.0011 Å
• b: 10.573 ± 0.0006 Å
• c: 10.446 ± 0.001 Å
• α: 90°
• β: 114.405 ± 0.005°
• γ: 90°
• Cell volume: 1037.85 ± 0.17 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.327
• Weighted residual factors for significantly intense reflections: 0.326
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections: 0.933
• Goodness-of-fit parameter for significantly intense reflections: 0.819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No