Information card for entry 1569745

Structure parameters

• Formula: C49 H59 I N O2 P Pd
• Calculated formula: C49 H59 I N O2 P Pd
• Title of publication: Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights
• Authors of publication: Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 4319 - 4337
• a: 9.435 ± 0.002 Å
• b: 15.715 ± 0.004 Å
• c: 29.428 ± 0.006 Å
• α: 90°
• β: 98.613 ± 0.006°
• γ: 90°
• Cell volume: 4314.1 ± 1.7 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No