Information card for entry 1513353

Structure parameters

• Formula: C12 H19 Br N2 O3 Zn
• Calculated formula: C12 H17 Br N2 O3 Zn
• Title of publication: High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework.
• Authors of publication: Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo
• Journal of publication: Analytical chemistry
• Year of publication: 2014
• Journal volume: 86
• Journal issue: 2
• Pages of publication: 1277 - 1281
• a: 15.9539 ± 0.0006 Å
• b: 15.9539 ± 0.0006 Å
• c: 14.7843 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3258.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No