Information card for entry 7116386

Structure parameters

• Formula: C138 H90 Eu2 F18 N18 O18 S6
• Calculated formula: C132 H91 Eu2 N18 O12
• SMILES: [Eu]12345678[O]=C(NCC(C)c9ccccc9)c9[n]2c(ccc9)C(O1)=Nc1ccc(cc1)c1ccc(cc1)N=C1O[Eu]29%10%11%12([O]=C(NCC(C)c%13ccccc%13)c%13[n]2c1ccc%13)(OC(=Nc1ccc(cc1)c1ccc(cc1)N=C(O4)c1[n]5c(ccc1)C(NCC(C)c1ccccc1)=[O]3)c1[n]9c(ccc1)C(=[O]%10)NCC(C)c1ccccc1)OC(=Nc1ccc(cc1)c1ccc(cc1)N=C(O6)c1[n]7c(ccc1)C(NCC(C)c1ccccc1)=[O]8)c1[n]%11c(ccc1)C(NCC(C)c1ccccc1)=[O]%12
• 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: 16.679 ± 0.0005 Å
• b: 20.3099 ± 0.0006 Å
• c: 24.4218 ± 0.0008 Å
• α: 87.025 ± 0.002°
• β: 70.961 ± 0.002°
• γ: 89.269 ± 0.002°
• Cell volume: 7809.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No