Information card for entry 7246941

Structure parameters

• Chemical name: Boc-L-Pro-Mn-Anderson
• Formula: C81 H161.5 Mn Mo6 N9.5 O30
• Calculated formula: C81 H161.5 Mn Mo6 N9.5 O30
• Title of publication: A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
• Authors of publication: Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 6263 - 6269
• a: 24.16 ± 0.0005 Å
• b: 14.7868 ± 0.0003 Å
• c: 33.2539 ± 0.0011 Å
• α: 90°
• β: 103.708 ± 0.003°
• γ: 90°
• Cell volume: 11541.5 ± 0.5 ų
• Cell temperature: 109.3 ± 0.8 K
• Ambient diffraction temperature: 109.3 ± 0.8 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: 0.1161
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No