Information card for entry 4028235

Structure parameters

• Formula: C29.5 H40 Cl I N O2 P2 Pd
• Calculated formula: C46 H38 I N O2 P2 Pd
• SMILES: [Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[nH]c2c(c1C(=O)OC)cccc2
• Title of publication: Stille Coupling of an Aziridinyl Stannatrane
• Authors of publication: Naresh Theddu; Edwin Vedejs
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5061 - 5066
• a: 12.537 ± 0.002 Å
• b: 11.4184 ± 0.0019 Å
• c: 30.962 ± 0.005 Å
• α: 90°
• β: 92.029 ± 0.003°
• γ: 90°
• Cell volume: 4429.5 ± 1.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 8
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No