Information card for entry 4107656

Structure parameters

• Formula: C258 H324 N24 O18 Zn6
• Calculated formula: C258 H252 N24 O18 Zn6
• SMILES: c1cc2cc[n]1[Zn]134[N](=Cc5c(O4)c(cc(c4cc[n](cc4)[Zn]467[N](=Cc8c(c(cc(c9cc[n](cc9)[Zn]9%10%11[N](=Cc%12c(O%11)c(cc(c%11cc[n](cc%11)[Zn]%11%13%14[N](=Cc%15c(c(cc(c%16cc[n](cc%16)[Zn]%16%17%18[N](=Cc%19c(O%18)c(cc(c%18cc[n]([Zn]%20%21%22[N](=Cc%23c(c(cc2c%23)C(C)(C)C)O%21)[C@@H]2CCCC[C@H]2[N]%20=Cc2c(O%22)c(cc(c2)c2ccncc2)C(C)(C)C)cc%18)c%19)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%16=Cc2c(O%17)c(cc(c2)c2ccncc2)C(C)(C)C)c%15)C(C)(C)C)O%13)[C@@H]2CCCC[C@H]2[N]%11=Cc2c(O%14)c(cc(c2)c2ccncc2)C(C)(C)C)c%12)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]9=Cc2c(O%10)c(cc(c2)c2ccncc2)C(C)(C)C)c8)C(C)(C)C)O6)[C@@H]2CCCC[C@H]2[N]4=Cc2c(O7)c(cc(c2)c2ccncc2)C(C)(C)C)c5)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]1=Cc1c(O3)c(cc(c1)c1ccncc1)C(C)(C)C.O[C@H](C)CCC.O[C@@H](C)CCC.O[C@H](C)CCC.O[C@H](C)CCC.O[C@@H](C)CCC.O[C@@H](C)CCC
• Title of publication: A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation
• Authors of publication: Gao Li; Weibin Yu; Yong Cui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4582 - 4583
• a: 45.037 ± 0.0019 Å
• b: 45.037 ± 0.0019 Å
• c: 10.3862 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18244.3 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No