Information card for entry 7122922

Structure parameters

• Common name: 1,2-Ph shift
• Chemical name: Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate
• Formula: C26 H20 O5
• Calculated formula: C26 H20 O5
• Title of publication: Regioselective Arene Homologation through Rhenium-Catalyzed Deoxygenative Aromatization of 7-Oxabicyclo[2.2.1]hepta-2,5-dienes
• Authors of publication: Murai, Masahito; Ogita, Takuya; Takai, Kazuhiko
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.7487 ± 0.001 Å
• b: 7.427 ± 0.005 Å
• c: 17.812 ± 0.011 Å
• α: 90°
• β: 96.731 ± 0.008°
• γ: 90°
• Cell volume: 2069 ± 1.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• 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: 0.1148
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No