Information card for entry 7125224

Structure parameters

• Formula: C25 H26 O4
• Calculated formula: C25 H26 O4
• Title of publication: Copper-catalyzed cascade annulation between α-bromocarbonyls and biaryl or (Z)-arylvinylacetylenes enabling a direct synthesis of dibenzocycloheptanes and related compounds.
• Authors of publication: Lu, Danyang; Wan, Yimei; Kong, Lichun; Zhu, Gangguo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 97
• Pages of publication: 13971 - 13974
• a: 8.8392 ± 0.0005 Å
• b: 12.746 ± 0.0007 Å
• c: 9.5979 ± 0.0005 Å
• α: 90°
• β: 99.664 ± 0.004°
• γ: 90°
• Cell volume: 1066 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No