Information card for entry 1554987

Structure parameters

• Formula: C25 H24 B11 Cl6 N
• Calculated formula: C25 H24 B11 Cl6 N
• 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: 31.445 ± 0.002 Å
• b: 13.6072 ± 0.0008 Å
• c: 32.634 ± 0.002 Å
• α: 90°
• β: 116.666 ± 0.001°
• γ: 90°
• Cell volume: 12478.2 ± 1.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.1074
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No