Information card for entry 7105138

Structure parameters

• Formula: C118 H114 Cl8 N16 O19
• Calculated formula: C118 H114 Cl8 N16 O19
• SMILES: Clc1c(NC(=O)c2nc3c(c(c2)OCC(C)C)ccc(NC(=O)OC(C)(C)C)c3Cl)ccc2c1nc(cc2OCC(C)C)C(=O)Nc1ccc2c(OCC(C)C)cc(nc2c1Cl)C(=O)Nc1c(Cl)c2nc(C(=O)Nc3c(Cl)c4nc(cc(OCC(C)C)c4cc3)C(=O)Nc3ccc4c(nc(cc4OCC(C)C)C(=O)Nc4c(Cl)c5nc(cc(OCC(C)C)c5cc4)C(=O)Nc4c(Cl)c5nc(cc(OCC(C)C)c5cc4)C(=O)OC)c3Cl)cc(OCC(C)C)c2cc1
• Title of publication: Heteromeric double helix formation by cross-hybridization of chloro-and fluoro-substituted quinoline oligoamides.
• Authors of publication: Gan, Quan; Li, Fei; Li, Guoping; Kauffmann, Brice; Xiang, Junfeng; Huc, Ivan; Jiang, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 297 - 299
• a: 31.428 ± 0.006 Å
• b: 36.642 ± 0.007 Å
• c: 24.101 ± 0.005 Å
• α: 90°
• β: 114.01 ± 0.03°
• γ: 90°
• Cell volume: 25353 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2104
• Residual factor for significantly intense reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.3449
• Weighted residual factors for all reflections included in the refinement: 0.3872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No