Information card for entry 7116385

Structure parameters

• Formula: C126 H108 Eu2 N18 O12
• Calculated formula: C126 H108 Eu2 N18 O12
• SMILES: [Eu]12345678[O]=C(N[C@@H](C)c9ccccc9)c9[n]2c(ccc9)C(=[O]1)Nc1ccc(cc1)c1ccc(NC2=[O][Eu]9%10%11%12%13([O]=C(N[C@@H](C)c%14ccccc%14)c%14[n]9c2ccc%14)([O]=C(Nc2ccc(c9ccc(NC(=[O]6)c6[n]7c(C(=[O]5)N[C@@H](C)c5ccccc5)ccc6)cc9)cc2)c2[n]%12c(ccc2)C(=[O]%10)N[C@@H](C)c2ccccc2)[O]=C(Nc2ccc(c5ccc(NC(=[O]3)c3[n]4c(C(=[O]8)N[C@@H](C)c4ccccc4)ccc3)cc5)cc2)c2[n]%11c(ccc2)C(=[O]%13)N[C@@H](C)c2ccccc2)cc1
• Title of publication: Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix
• Authors of publication: Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 592
• a: 26.0606 ± 0.001 Å
• b: 28.4219 ± 0.0009 Å
• c: 23.3299 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17280.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No