Information card for entry 7134315

Structure parameters

• Chemical name: (N,N'-dibenzylselenocarbamoyl)di[bis(trifluoromethyl)phenyl]phosphine
• Formula: C31 H20 F12 N P Se
• Calculated formula: C31 H20 F12 N P Se
• Title of publication: Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.
• Authors of publication: Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 26
• Pages of publication: 4955 - 4958
• a: 6.8359 ± 0.0005 Å
• b: 12.3127 ± 0.001 Å
• c: 35.205 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2963.1 ± 0.5 ų
• Cell temperature: 99.97 ± 0.18 K
• Ambient diffraction temperature: 99.97 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No