Information card for entry 7111753

Structure parameters

• Formula: C19 H16 O5
• Calculated formula: C19 H16 O5
• SMILES: C1(=C(C(C1=O)(OC)OC)c1ccccc1)C(=O)Oc1ccccc1
• 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: 9.8511 ± 0.0009 Å
• b: 9.3112 ± 0.0009 Å
• c: 18.1359 ± 0.0017 Å
• α: 90°
• β: 100.071 ± 0.002°
• γ: 90°
• Cell volume: 1637.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0405
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No