Information card for entry 1554983

Structure parameters

• Formula: C19 H19 B11 Cl6 O
• Calculated formula: C19 H19 B11 Cl6 O
• Title of publication: Peraryl-X-onium ions of nitrogen and oxygen
• Authors of publication: Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 2640
• a: 17.251 ± 0.002 Å
• b: 12.1706 ± 0.0017 Å
• c: 26.112 ± 0.004 Å
• α: 90°
• β: 91.879 ± 0.003°
• γ: 90°
• Cell volume: 5479.4 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No