Information card for entry 2207358

Structure parameters

• Chemical name: 2-Methyl-2-(trimethylsilyloxy)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran- 5-one
• Formula: C16 H20 O4 Si
• Calculated formula: C16 H20 O4 Si
• SMILES: [Si](OC1(Oc2c(CC1)c(=O)oc1c2cccc1)C)(C)(C)C
• Title of publication: 2-Methyl-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; Yun Liu; Zhi-Feng Lu; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3704 - o3705
• a: 11.96 ± 0.002 Å
• b: 10.456 ± 0.002 Å
• c: 13.039 ± 0.003 Å
• α: 90°
• β: 105.09 ± 0.03°
• γ: 90°
• Cell volume: 1574.4 ± 0.6 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• 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: 0.098
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes