Information card for entry 7026386

Structure parameters

• Formula: C23 H32 N3 O5.5 Pd S
• Calculated formula: C23 H32 N3 O5.5 Pd S
• Title of publication: Anilide activation of adjacent C-H bonds in the palladium-catalysed Fujiwara-Moritani reaction.
• Authors of publication: Rauf, Waqar; Thompson, Amber L.; Brown, John M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10414 - 10421
• a: 6.8157 ± 0.0001 Å
• b: 11.0016 ± 0.0002 Å
• c: 17.1316 ± 0.0004 Å
• α: 81.8338 ± 0.0007°
• β: 89.2894 ± 0.0007°
• γ: 76.2647 ± 0.001°
• Cell volume: 1234.9 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9423
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No