Information card for entry 4035496

Structure parameters

• Formula: C106 H110 N2 O3 P2
• Calculated formula: C106 H110 N2 O3 P2
• Title of publication: Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines.
• Authors of publication: Sun, Weiye; Gu, Haorui; Lin, Xufeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 4034 - 4043
• a: 11.6873 ± 0.0003 Å
• b: 15.3134 ± 0.0003 Å
• c: 14.6013 ± 0.0004 Å
• α: 90°
• β: 110.631 ± 0.003°
• γ: 90°
• Cell volume: 2445.64 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No