Information card for entry 7711012

Structure parameters

• Formula: C55 H55 Cl N2 O P2
• Calculated formula: C55 H55 Cl 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: 12.06 ± 0.003 Å
• b: 24.498 ± 0.006 Å
• c: 16.669 ± 0.004 Å
• α: 90°
• β: 110.821 ± 0.005°
• γ: 90°
• Cell volume: 4603 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No