Information card for entry 7222408

Structure parameters

• Formula: C38 H48 Cu N8 O11
• Calculated formula: C29 H25 Cu N5 O7
• 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: 8.3259 ± 0.0014 Å
• b: 22.773 ± 0.004 Å
• c: 20.105 ± 0.003 Å
• α: 90°
• β: 93.7 ± 0.005°
• γ: 90°
• Cell volume: 3804.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No