Information card for entry 1547721

Structure parameters

• Formula: C125 H134 N16 O33 Zn4
• Calculated formula: C125 H104 N16 O33 Zn4
• Title of publication: Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
• Authors of publication: Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 361
• a: 24.9168 ± 0.0019 Å
• b: 9.6298 ± 0.0007 Å
• c: 27.373 ± 0.003 Å
• α: 90°
• β: 116.294 ± 0.0013°
• γ: 90°
• Cell volume: 5888.4 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No