Information card for entry 7719090

Structure parameters

• Formula: C54 H45 N2 O2 P
• Calculated formula: C54 H45 N2 O2 P
• Title of publication: Sterically hindered P,N-type amidophosphines {{(<i>o</i>-PPh₂)C₆H₄}C(O)NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides.
• Authors of publication: Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11551 - 11562
• a: 8.3353 ± 0.0003 Å
• b: 16.5259 ± 0.0006 Å
• c: 16.8581 ± 0.0006 Å
• α: 71.863 ± 0.003°
• β: 78.627 ± 0.003°
• γ: 77.25 ± 0.003°
• Cell volume: 2131.6 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1553
• 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