Information card for entry 4115341

Structure parameters

• Formula: C30 H30 F12 N4 O12
• Calculated formula: C30 H30 F12 N4 O12
• SMILES: [C@@H]1(Cc2ccc(C[C@@H]3C(=O)N[C@H](C(=O)N3)C(C)C)cc2)NC(=O)[C@@H](C(C)C)NC1=O.FC(F)(F)C(=O)O.FC(F)(F)C(=O)O.FC(F)(F)C(=O)O.FC(F)(F)C(=O)O
• Title of publication: Homochiral Supramolecular Polymerization of an "S"-Shaped Chiral Monomer: Translation of Optical Purity into Molecular Weight Distribution
• Authors of publication: Yasuhiro Ishida; Takuzo Aida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14017 - 14019
• a: 6.235 ± 0.002 Å
• b: 11.743 ± 0.005 Å
• c: 14.21 ± 0.007 Å
• α: 105.67 ± 0.02°
• β: 95.622 ± 0.007°
• γ: 96.003 ± 0.007°
• Cell volume: 987.6 ± 0.7 ų
• Cell temperature: 123.2 K
• 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 significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No