Information card for entry 1556349

Structure parameters

• Formula: C26 Cu O5
• Calculated formula: C26 Cu O6
• Title of publication: Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst
• Authors of publication: Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2623
• a: 18.744 ± 0.0008 Å
• b: 18.744 ± 0.0008 Å
• c: 29.259 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10279.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 93
• Hermann-Mauguin space group symbol: P 42 2 2
• Hall space group symbol: P 4c 2
• Residual factor for all reflections: 0.2003
• Residual factor for significantly intense reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.4129
• Weighted residual factors for all reflections included in the refinement: 0.438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No