Information card for entry 4020005

Structure parameters

• Formula: C44 H38 N2 O2 P2 Pd
• Calculated formula: C44 H38 N2 O2 P2 Pd
• Authors of publication: Kevin R. Campos; Michel Journet; Sandra Lee; Edward J. J. Grabowski; Richard D. Tillyer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 268 - 274
• a: 9.7483 ± 0.0014 Å
• b: 17.536 ± 0.003 Å
• c: 21.06 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3600.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No