Information card for entry 4129478

Structure parameters

• Formula: C28 H46 D3 Ni O3 P2
• Calculated formula: C28 H46 D3 Ni O3 P2
• Title of publication: Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.
• Authors of publication: Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 12748 - 12751
• a: 15.5113 ± 0.0017 Å
• b: 21.773 ± 0.002 Å
• c: 17.3548 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5861.2 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No