Information card for entry 4032681

Structure parameters

• Formula: C15 H16 O3
• Calculated formula: C15 H16 O3
• Title of publication: Synthesis of Oxatricyclooctanes via Photoinduced Intramolecular Oxa-[4+2] Cycloaddition of Substituted o-Divinylbenzenes.
• Authors of publication: Liu, Qiang; Wang, Junlei; Li, Dazhi; Gao, Guo-Lin; Yang, Chao; Gao, Yuan; Xia, Wujiong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 15
• Pages of publication: 7856 - 7868
• a: 12.607 ± 0.008 Å
• b: 5.662 ± 0.004 Å
• c: 18.667 ± 0.014 Å
• α: 90°
• β: 102.68 ± 0.02°
• γ: 90°
• Cell volume: 1300 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0961
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No