Information card for entry 7124294

Structure parameters

• Formula: C42 H66 Br Cu O4 P6 Si6
• Calculated formula: C42 H66 Br Cu O4 P6 Si6
• 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: 12.381 ± 0.004 Å
• b: 13.372 ± 0.004 Å
• c: 17.518 ± 0.005 Å
• α: 106.111 ± 0.007°
• β: 99.386 ± 0.008°
• γ: 99.154 ± 0.007°
• Cell volume: 2684.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No