Information card for entry 7157666

Structure parameters

• Formula: C134 H130 Cl6 F6 N18 O19
• Calculated formula: C134 H130 Cl6 F6 N18 O19
• SMILES: Fc1c2nc(cc(c2ccc1NC(=O)c1nc2c(F)c(NC(=O)c3nc4c(F)c(NC(=O)c5nc6c(F)c(NC(=O)c7nc8c(F)c(NC(=O)c9nc%10c(F)c(NC(=O)OC(C)(C)C)ccc%10c(OCC(C)C)c9)ccc8c(OCC(C)C)c7)ccc6c(OCC(C)C)c5)ccc4c(OCC(C)C)c3)ccc2c(c1)OCC(C)C)OCC(C)C)C(=O)Nc1c2nc(C(=O)Nc3c4nc(C(=O)Nc5c(C6=N[C@@H](c7ccccc7)CO6)cccc5)cc(c4ccc3)OCC(C)C)cc(OCC(C)C)c2ccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.
• Authors of publication: Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 34
• Pages of publication: 6643 - 6650
• a: 35.445 ± 0.007 Å
• b: 36.434 ± 0.007 Å
• c: 45.806 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59154 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2866
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No