Information card for entry 1575631

Structure parameters

• Formula: C21 H33 P S
• Calculated formula: C21 H33 P S
• Title of publication: Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.
• Authors of publication: Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14277 - 14285
• a: 12.6018 ± 0.0004 Å
• b: 29.0289 ± 0.0011 Å
• c: 12.3545 ± 0.0004 Å
• α: 90°
• β: 113.08 ± 0.002°
• γ: 90°
• Cell volume: 4157.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No