Information card for entry 1506982

Structure parameters

• Formula: C15 H24 O4 Si
• Calculated formula: C15 H24 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: 6.424 ± 0.0014 Å
• b: 12.052 ± 0.004 Å
• c: 12.936 ± 0.005 Å
• α: 106.82°
• β: 103.22 ± 0.02°
• γ: 105.12 ± 0.02°
• Cell volume: 873.9 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections: 0.204
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections: 0.927
• Goodness-of-fit parameter for significantly intense reflections: 0.598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.598
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No