Information card for entry 7111752

Structure parameters

• Formula: C15 H30 O5 Si
• Calculated formula: C15 H30 O5 Si
• SMILES: [Si](O[C@@]1(OC)C(OC)(OC)C=C1[C@@H](O)C)(C)(C)C(C)(C)C.[Si](O[C@]1(OC)C(OC)(OC)C=C1[C@H](O)C)(C)(C)C(C)(C)C
• Title of publication: Siloxy(trialkoxy)ethene undergoes regioselective [2+2] cycloaddition to ynones and ynoates en route to functionalized cyclobutenediones
• Authors of publication: Iwata, Shin; Hamura, Toshiyuki; Suzuki, Keisuke
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5316 - 5318
• a: 9.501 ± 0.005 Å
• b: 10.005 ± 0.004 Å
• c: 10.189 ± 0.004 Å
• α: 68.89 ± 0.04°
• β: 84.74 ± 0.04°
• γ: 85.22 ± 0.04°
• Cell volume: 898.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0754
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No