Information card for entry 4032540

Structure parameters

• Formula: C41 H70 Ni O2 P2
• Calculated formula: C41 H70 Ni O2 P2
• SMILES: [Ni]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)OC1c1occc1
• Title of publication: Nickel-Catalyzed Decarbonylation of Aromatic Aldehydes.
• Authors of publication: Ding, Keying; Xu, Shi; Alotaibi, Rajeh; Paudel, Keshav; Reinheimer, Eric W.; Weatherly, Jessie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 4924 - 4929
• a: 9.7004 ± 0.0006 Å
• b: 10.2894 ± 0.0005 Å
• c: 21.5422 ± 0.0011 Å
• α: 84.863 ± 0.004°
• β: 88.794 ± 0.005°
• γ: 65.035 ± 0.006°
• Cell volume: 1941.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No