Information card for entry 4107655

Structure parameters

• Formula: C252 H300 N24 O18 Zn6
• Calculated formula: C252 H252 N24 O18 Zn6
• SMILES: c1cc2cc[n]1[Zn]134[N](=Cc5cc(c6cc[n](cc6)[Zn]678[N](=Cc9cc(c%10cc[n](cc%10)[Zn]%10%11%12[N](=Cc%13cc(c%14cc[n](cc%14)[Zn]%14%15%16[N](=Cc%17cc(c%18cc[n](cc%18)[Zn]%18%19%20[N](=Cc%21cc(c%22cc[n]([Zn]%23%24%25[N](=Cc%26cc2cc(c%26O%25)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%23=Cc2c(O%24)c(cc(c2)c2ccncc2)C(C)(C)C)cc%22)cc(c%21O%20)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%18=Cc2cc(cc(c2O%19)C(C)(C)C)c2ccncc2)cc(c%17O%16)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%14=Cc2cc(cc(c2O%15)C(C)(C)C)c2ccncc2)cc(c%13O%12)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%10=Cc2cc(cc(c2O%11)C(C)(C)C)c2ccncc2)cc(c9O8)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]6=Cc2cc(cc(c2O7)C(C)(C)C)c2ccncc2)cc(c5O4)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]1=Cc1cc(cc(c1O3)C(C)(C)C)c1ccncc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 44.861 ± 0.006 Å
• b: 44.861 ± 0.006 Å
• c: 10.203 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17783 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No