Information card for entry 1503156

Structure parameters

• Formula: C43 H44 Cl2 N4 Ni O4
• Calculated formula: C43 H44 Cl2 N4 Ni O4
• Title of publication: Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.
• Authors of publication: Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4002 - 4005
• a: 12.3092 ± 0.0019 Å
• b: 12.3128 ± 0.0019 Å
• c: 12.973 ± 0.002 Å
• α: 90.061 ± 0.002°
• β: 102.664 ± 0.002°
• γ: 98.557 ± 0.002°
• Cell volume: 1895.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No