Information card for entry 7133313

Structure parameters

• Formula: C36 H48 Cl P Si4
• Calculated formula: C36 H48 Cl P Si4
• Title of publication: Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.
• Authors of publication: Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 63
• Pages of publication: 8288 - 8291
• a: 16.1335 ± 0.0005 Å
• b: 13.1016 ± 0.0003 Å
• c: 16.7859 ± 0.0004 Å
• α: 90°
• β: 91.24 ± 0.002°
• γ: 90°
• Cell volume: 3547.28 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No