Information card for entry 1570791

Structure parameters

• Formula: C34 H49 Mn N2 O2 P2
• Calculated formula: C34 H49 Mn N2 O2 P2
• Title of publication: Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.
• Authors of publication: Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 2571 - 2577
• a: 9.5026 ± 0.0005 Å
• b: 16.911 ± 0.0006 Å
• c: 21.3649 ± 0.001 Å
• α: 90°
• β: 100.11 ± 0.004°
• γ: 90°
• Cell volume: 3380 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No