Information card for entry 4034888

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• Title of publication: mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.
• Authors of publication: Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 14110 - 14119
• a: 22.457 ± 0.003 Å
• b: 5.2177 ± 0.0007 Å
• c: 25.976 ± 0.003 Å
• α: 90°
• β: 95.828 ± 0.004°
• γ: 90°
• Cell volume: 3028 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No