Information card for entry 7711013

Structure parameters

• Formula: C51 H56 N2 O P2
• Calculated formula: C51 H56 N2 O P2
• Title of publication: Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2
• Authors of publication: Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.909 ± 0.005 Å
• b: 21.941 ± 0.009 Å
• c: 16.937 ± 0.007 Å
• α: 90°
• β: 108.673 ± 0.009°
• γ: 90°
• Cell volume: 4193 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No