Information card for entry 7135032

Structure parameters

• Formula: C33 H41 F3 N2 O3 P2 S
• Calculated formula: C33 H41 F3 N2 O3 P2 S
• Title of publication: A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.
• Authors of publication: Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 90
• Pages of publication: 17601 - 17604
• a: 12.1104 ± 0.0002 Å
• b: 13.7238 ± 0.0002 Å
• c: 20.3093 ± 0.0003 Å
• α: 90°
• β: 97.664 ± 0.001°
• γ: 90°
• Cell volume: 3345.27 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No