Information card for entry 7705741

Structure parameters

• Formula: C49 H51 N2 O P3
• Calculated formula: C49.001 H51.001 N2 O1.001 P3.001
• Title of publication: Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.
• Authors of publication: Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13655 - 13662
• a: 12.6722 ± 0.0011 Å
• b: 20.9488 ± 0.0019 Å
• c: 16.0188 ± 0.0015 Å
• α: 90°
• β: 105.781 ± 0.003°
• γ: 90°
• Cell volume: 4092.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No