Information card for entry 7134314

Structure parameters

• Chemical name: (N,N'-dibenzylselenocarbamoyl)(di-o-tolyl)phosphine
• Formula: C29 H28 N O P Se
• Calculated formula: C29 H28 N O 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: 10.9052 ± 0.0002 Å
• b: 17.7869 ± 0.0004 Å
• c: 12.694 ± 0.0003 Å
• α: 90°
• β: 98.305 ± 0.002°
• γ: 90°
• Cell volume: 2436.43 ± 0.09 ų
• Cell temperature: 100.4 ± 0.9 K
• Ambient diffraction temperature: 100.4 ± 0.9 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: 0.0497
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No