Information card for entry 4038409

Structure parameters

• Formula: C31 H54 B F4 N4 P
• Calculated formula: C31 H54 B F4 N4 P
• Title of publication: Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.
• Authors of publication: Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 14.3278 ± 0.0008 Å
• b: 16.401 ± 0.0009 Å
• c: 28.7615 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6758.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No