Information card for entry 7124292

Structure parameters

• Formula: C10 H6 O4
• Calculated formula: C10 H6 O4
• Title of publication: Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene
• Authors of publication: Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.886 ± 0.002 Å
• b: 21.28 ± 0.003 Å
• c: 3.6073 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1603.3 ± 0.3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No