Information card for entry 2209737

Structure parameters

• Chemical name: 4-Butyl-2-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2H,5H- pyrano[3,2-c][1]benzopyran-5-one
• Formula: C25 H30 O4 Si
• Calculated formula: C25 H30 O4 Si
• SMILES: O1[C@@](O[Si](C)(C)C)(C[C@@H](CCCC)c2c1c1c(oc2=O)cccc1)c1ccccc1.O1[C@](O[Si](C)(C)C)(C[C@H](CCCC)c2c1c1c(oc2=O)cccc1)c1ccccc1
• Title of publication: 4-Butyl-2-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one
• Authors of publication: Da-Quan Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3572 - o3573
• a: 12.138 ± 0.002 Å
• b: 12.874 ± 0.003 Å
• c: 15.3 ± 0.003 Å
• α: 90°
• β: 90.2 ± 0.03°
• γ: 90°
• Cell volume: 2390.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes