Information card for entry 4025959

Structure parameters

• Formula: C58 H50 N8 O8
• Calculated formula: C55 H58 N6 O12
• SMILES: n1c(C(=O)Nc2c3nc(C(=O)OC)cc(c3ccc2)OCC(C)C)cc(OCC(C)C)c2c1c(NC(=O)c1nc3c(cccc3NC(=O)[C@]34OC(=O)[C@](CC3)(C4(C)C)C)c(OCC(C)C)c1)ccc2.CO.OC
• Title of publication: Absolute Control of Helical Handedness in Quinoline Oligoamides
• Authors of publication: Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 195 - 200
• a: 8.7378 ± 0.0009 Å
• b: 30.43 ± 0.003 Å
• c: 10.316 ± 0.0011 Å
• α: 90°
• β: 103.209 ± 0.007°
• γ: 90°
• Cell volume: 2670.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No