Information card for entry 7105137

Structure parameters

• Formula: C120 H120 Cl8 F8 N20 O20
• Calculated formula: C115 H43.5 Cl8 N16 O24.5
• SMILES: Clc1c2nc(cc(OCC(C)C)c2ccc1NC(=O)c1nc2c(Cl)c(ccc2c(c1)OCCC)NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(OCC(C)C)cc(nc2c1Cl)C(=O)Nc1ccc2c(nc(C(=O)Nc3ccc4c(OCCC)cc(nc4c3Cl)C(=O)Nc3c(Cl)c4nc(cc(c4cc3)OCC(C)C)C(=O)Nc3c(Cl)c4nc(cc(OCC(C)C)c4cc3)C(=O)Nc3c(Cl)c4nc(cc(OCC(C)C)c4cc3)C(=O)OC)cc2OCC(C)C)c1Cl.O.O.O.O.O.O
• 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: 24.1005 ± 0.0006 Å
• b: 24.1347 ± 0.0006 Å
• c: 24.1394 ± 0.0007 Å
• α: 98.761 ± 0.002°
• β: 105.321 ± 0.002°
• γ: 105.399 ± 0.002°
• Cell volume: 12676.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3605
• Residual factor for significantly intense reflections: 0.231
• Weighted residual factors for significantly intense reflections: 0.5091
• Weighted residual factors for all reflections included in the refinement: 0.5967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.958
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No