Information card for entry 7127331

Structure parameters

• Formula: C135 F42 La2 O18 S8
• Calculated formula: C135 H6 F42 La2 O18 S8
• SMILES: [La]1234567([O]=C(c8cc9sc(C)c(c9cc8)C8=C(c9c(sc%10c9ccc(C9=[O][La]%11%12%13([O]=C(C=C(O%12)C(F)(F)F)c%12cc%14sc(c(C%15=C(c%16c(sc%17cc(C(C=C(O3)C(F)(F)F)=[O]1)ccc%16%17)C)C(F)(F)C(F)(F)C%15(F)F)c%14cc%12)C)([O]=C(c1ccc3c(sc(C)c3C3=C(c%12c%14ccc(cc%14sc%12C)C(=[O]4)C=C(O5)C(F)(F)F)C(F)(F)C(F)(F)C3(F)F)c1)C=C(O%11)C(F)(F)F)([O]=C(C=C(O%13)C(F)(F)F)c1cc3sc(c(c3cc1)C1=C(c3c(sc4c3ccc(c4)C(=[O]7)C=C(O2)C(F)(F)F)C)C(F)(F)C(F)(F)C1(F)F)C)(OC(C(F)(F)F)=C9)[OH]C)c%10)C)C(F)(F)C(F)(F)C8(F)F)C=C(C(F)(F)F)O6)[OH]C.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Metal-directed synthesis of quadruple-stranded helical Eu(III) molecular switch: a significant improvement in photocyclization quantum yield.
• Authors of publication: Zhang, Yuan; Zhou, Yanyan; Gao, Ting; Yan, Pengfei; Li, Hongfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 86
• Pages of publication: 13213 - 13216
• a: 15.184 ± 0.0005 Å
• b: 15.6113 ± 0.0007 Å
• c: 47.3346 ± 0.0011 Å
• α: 99.304 ± 0.003°
• β: 91.333 ± 0.002°
• γ: 110.381 ± 0.003°
• Cell volume: 10341 ± 0.7 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.403
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No