Information card for entry 7222407

Structure parameters

• Formula: C40 H36 N6 O12 Zn2
• Calculated formula: C40 H36 N6 O12 Zn2
• Title of publication: Amide Functionalized Metal Organic Frameworks for Diastereoselective Nitroaldol (Henry) Reaction in Aqueous Medium
• Authors of publication: Paul, Anup; Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.035 ± 0.0009 Å
• b: 24.892 ± 0.003 Å
• c: 10.8856 ± 0.0013 Å
• α: 90°
• β: 111.56 ± 0.004°
• γ: 90°
• Cell volume: 2024.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0322
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No