Information card for entry 4119504

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: O=C1OCCC(C=C1CCCC)(c1ccccc1)c1ccccc1
• Title of publication: A New Strategy for Efficient Synthesis of Medium and Large Ring Lactones without High Dilution or Slow Addition
• Authors of publication: Wanxiang Zhao; Zigang Li; Jianwei Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4680 - 4683
• a: 9.821 ± 0.0002 Å
• b: 9.6719 ± 0.0002 Å
• c: 19.1185 ± 0.0004 Å
• α: 90°
• β: 103.207 ± 0.002°
• γ: 90°
• Cell volume: 1767.99 ± 0.06 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 3
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No