Information card for entry 4341420

Structure parameters

• Common name: 1-D
• Formula: C40 H51 Cu3 N2 O23
• Calculated formula: C40 H44 Cu3 N2 O23
• Title of publication: Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams
• Authors of publication: Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141031102220000
• a: 21.78 ± 0.0003 Å
• b: 10.8551 ± 0.0001 Å
• c: 19.4405 ± 0.0003 Å
• α: 90°
• β: 92.088 ± 0.001°
• γ: 90°
• Cell volume: 4593.15 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No