Information card for entry 7719086

Structure parameters

• Formula: C31 H31 Cl N O P Pd
• Calculated formula: C31 H31 Cl N O P Pd
• 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: 9.7141 ± 0.0006 Å
• b: 14.3721 ± 0.0009 Å
• c: 19.5667 ± 0.0011 Å
• α: 90°
• β: 96.442 ± 0.002°
• γ: 90°
• Cell volume: 2714.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No